Compounds

ALA5266546

Name:
3-(4-chloro-3-nitrostyryl)-2-phenylquinazolin-4(3H)-one

Mol. Formula:
C22H14ClN3O3

M.W.:
403.83

Type:
---

AlogP:
5.25

Polar Surface Area:
78.03

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5266439

Name:
6-Bromo-3-(2,5-dimethoxystyryl)-2-methylquinazolin-4(3H)-one

Mol. Formula:
C19H17BrN2O3

M.W.:
401.26

Type:
---

AlogP:
4.11

Polar Surface Area:
53.35

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5282272

Name:
6-Bromo-3-(4-chloro-3-nitrostyryl)-2-methylquinazolin-4(3H)-one

Mol. Formula:
C17H11BrClN3O3

M.W.:
420.65

Type:
---

AlogP:
4.66

Polar Surface Area:
78.03

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5281861

Name:
6-Bromo-2-methyl-3-(2-(trifluoromethyl)styryl)quinazolin-4(3H)-one

Mol. Formula:
C18H12BrF3N2O

M.W.:
409.21

Type:
---

AlogP:
5.11

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5281845

Name:
3-(2,3-dichlorostyryl)-2-(pyridin-4-yl)quinazolin-4(3H)-one

Mol. Formula:
C21H13Cl2N3O

M.W.:
394.26

Type:
---

AlogP:
5.39

Polar Surface Area:
47.78

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5281217

Name:
(3S)-N'-(4-chlorobenzylidene)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]iShow More⌵

Mol. Formula:
C20H19ClN4O

M.W.:
366.85

Type:
---

AlogP:
3.55

Polar Surface Area:
69.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5281136

Name:
6-Bromo-3-(4-fluorostyryl)-2-methylquinazolin-4(3H)-one

Mol. Formula:
C17H12BrFN2O

M.W.:
359.20

Type:
---

AlogP:
4.23

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5280935

Name:
6-Bromo-3-(3-chlorostyryl)-2-methylquinazolin-4(3H)-one

Mol. Formula:
C17H12BrClN2O

M.W.:
375.65

Type:
---

AlogP:
4.75

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5280821

Name:
3-(2,3-dichlorostyryl)-2-methylquinazolin-4(3H)-one

Mol. Formula:
C17H12Cl2N2O

M.W.:
331.20

Type:
---

AlogP:
4.64

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5280775

Name:
3-(3,5-dichlorostyryl)-2-phenylquinazolin-4(3H)-one

Mol. Formula:
C22H14Cl2N2O

M.W.:
393.27

Type:
---

AlogP:
6.00

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5278374

Name:
3-(4-fluorostyryl)-2-(pyridin-4-yl)quinazolin-4(3H)-one

Mol. Formula:
C21H14FN3O

M.W.:
343.36

Type:
---

AlogP:
4.23

Polar Surface Area:
47.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5278122

Name:
3-(3,4-difluorostyryl)-2-phenylquinazolin-4(3H)-one

Mol. Formula:
C22H14F2N2O

M.W.:
360.36

Type:
---

AlogP:
4.97

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5276624

Name:
6-Bromo-3-(2-fluoro-3-(trifluoromethyl)styryl)-2-methylquinazolin-4(3H)-one

Mol. Formula:
C18H11BrF4N2O

M.W.:
427.20

Type:
---

AlogP:
5.25

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5276143

Name:
(1S,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazide

Mol. Formula:
C13H16N4O

M.W.:
244.30

Type:
---

AlogP:
0.73

Polar Surface Area:
82.94

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5276079

Name:
2-phenyl-3-(3-(trifluoromethyl)styryl)quinazolin-4(3H)-one

Mol. Formula:
C23H15F3N2O

M.W.:
392.38

Type:
---

AlogP:
5.71

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5276066

Name:
3-(2-chlorostyryl)-2-(pyridin-4-yl)quinazolin-4(3H)-one

Mol. Formula:
C21H14ClN3O

M.W.:
359.82

Type:
---

AlogP:
4.74

Polar Surface Area:
47.78

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5275852

Name:
6-Bromo-3-(2,6-dichlorostyryl)-2-methylquinazolin-4(3H)-one

Mol. Formula:
C17H11BrCl2N2O

M.W.:
410.10

Type:
---

AlogP:
5.40

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5273266

Name:
6-Bromo-3-(2,3-dimethoxystyryl)-2-methylquinazolin-4(3H)-one

Mol. Formula:
C19H17BrN2O3

M.W.:
401.26

Type:
---

AlogP:
4.11

Polar Surface Area:
53.35

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5291381

Name:
(2R,5'S,7'R,7a'S)-1''-bromo-6-hydroxy-7'-phenyl-7',7a'-dihydro-1'H,3H,3'H-dShow More⌵

Mol. Formula:
C26H19BrN2O4S

M.W.:
535.42

Type:
---

AlogP:
4.43

Polar Surface Area:
70.08

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5290802

Name:
(2R,2'S,4'R)-6-hydroxy-4'-(4-methoxyphenyl)-1',1''-dimethyl-3H-dispiro[benzShow More⌵

Mol. Formula:
C27H24N2O5

M.W.:
456.50

Type:
---

AlogP:
3.32

Polar Surface Area:
79.31

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS