Compounds

ALA4105651

Name:
1-(4-Methoxybenzyl)-6-nitro-2-pentyl-3-(4-(trifluoromethyl)phenyl)quinolin-Show More⌵

Mol. Formula:
C29H27F3N2O4

M.W.:
524.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.39

Polar Surface Area:
74.37

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4104578

Name:
3-(4-Ethylphenyl)-1-(4-methoxybenzyl)-6-nitro-2-ptolylquinolin-4(1H)-one

Mol. Formula:
C32H28N2O4

M.W.:
504.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.17

Polar Surface Area:
74.37

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4104441

Name:
(Z)-2,2,2-trifluoro-N-(4-oxo-2,3-dip-tolyl-1,4-dihydroquinolin-6-yl)acetimiShow More⌵

Mol. Formula:
C25H19F3N2O2

M.W.:
436.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.98

Polar Surface Area:
61.96

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4100368

Name:
1-(4-methoxybenzyl)-6-nitro-2-p-tolylquinolin-4(1H)-one

Mol. Formula:
C24H20N2O4

M.W.:
400.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.94

Polar Surface Area:
74.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4096723

Name:
6-Amino-2-p-tolylquinolin-4(1H)-one

Mol. Formula:
C16H14N2O

M.W.:
250.30

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.09

Polar Surface Area:
58.88

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4096018

Name:
3-(3,5-Dimethylphenyl)-1-(4-methoxybenzyl)-6-nitro-2-ptolylquinolin-4(1H)-oShow More⌵

Mol. Formula:
C32H28N2O4

M.W.:
504.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.23

Polar Surface Area:
74.37

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4095804

Name:
6-Amino-1-(4-methoxybenzyl)-2,3-dip-tolylquinolin-4(1H)-one

Mol. Formula:
C31H28N2O2

M.W.:
460.58

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.59

Polar Surface Area:
57.25

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4094414

Name:
3-Bromo-1-(4-methoxybenzyl)-6-nitro-2-p-tolylquinolin-4(1H)-one

Mol. Formula:
C24H19BrN2O4

M.W.:
479.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.70

Polar Surface Area:
74.37

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4090195

Name:
1-(4-Methoxybenzyl)-6-nitro-2-p-tolyl-3-(trifluoromethyl)quinolin-4(1H)-one

Mol. Formula:
C25H19F3N2O4

M.W.:
468.43

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.96

Polar Surface Area:
74.37

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4088077

Name:
3-Bromo-6-nitro-2-pentylquinolin-4(1H)-one

Mol. Formula:
C14H15BrN2O3

M.W.:
339.19

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
76.00

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4086677

Name:
3-Bromo-1-(4-methoxybenzyl)-6-nitro-2-pentylquinolin-4(1H)-one

Mol. Formula:
C22H23BrN2O4

M.W.:
459.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.46

Polar Surface Area:
74.37

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4084870

Name:
6-Nitro-2-p-tolylquinolin-4(1H)-one

Mol. Formula:
C16H12N2O3

M.W.:
280.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
76.00

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4082351

Name:
1-(1-(4-methoxyphenyl)ethyl)-6-nitro-2-p-tolylquinolin-4(1H)-one

Mol. Formula:
C25H22N2O4

M.W.:
414.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
74.37

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4081390

Name:
2-(1-(4-Methoxybenzyl)-6-nitro-4-oxo-2-p-tolyl-1,4-dihydroquinolin-3-yl)benShow More⌵

Mol. Formula:
C31H24N2O5

M.W.:
504.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.42

Polar Surface Area:
91.44

HBA:
6

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4077772

Name:
6-Nitro-2-p-tolyl-3-(4-(trifluoromethyl)phenyl)quinolin-4-ol

Mol. Formula:
C23H15F3N2O3

M.W.:
424.38

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.10

Polar Surface Area:
76.00

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4069497

Name:
6-Amino-3-(4-methoxyphenyl)-2-p-tolylquinolin-4(1H)-one

Mol. Formula:
C23H20N2O2

M.W.:
356.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
68.11

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4066927

Name:
3-Bromo-6-nitro-1-(1-phenylethyl)-2-p-tolylquinolin-4(1H)-one

Mol. Formula:
C24H19BrN2O3

M.W.:
463.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.26

Polar Surface Area:
65.14

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4066789

Name:
3-Bromo-6-nitro-2-p-tolylquinolin-4(1H)-one

Mol. Formula:
C16H11BrN2O3

M.W.:
359.18

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
76.00

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4063224

Name:
6-Nitro-2-pentylquinolin-4(1H)-one

Mol. Formula:
C14H16N2O3

M.W.:
260.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
76.00

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4062180

Name:
1-(4-methoxybenzyl)-6-nitro-2-pentylquinolin-4(1H)-one

Mol. Formula:
C22H24N2O4

M.W.:
380.44

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
74.37

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS