1-ethyl-6-(3-(2-methoxyethyl)-2-oxo-5-phenyl-2,3-dihydro-1H-imidazol-1-yl)-4-(morpholin-4-yl)quinolin-2(1H)-one

ID: ALA4566995

PubChem CID: 134537290

Max Phase: Preclinical

Molecular Formula: C27H30N4O4

Molecular Weight: 474.56

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CCn1c(=O)cc(N2CCOCC2)c2cc(-n3c(-c4ccccc4)cn(CCOC)c3=O)ccc21

Standard InChI:  InChI=1S/C27H30N4O4/c1-3-30-23-10-9-21(17-22(23)24(18-26(30)32)28-12-15-35-16-13-28)31-25(20-7-5-4-6-8-20)19-29(27(31)33)11-14-34-2/h4-10,17-19H,3,11-16H2,1-2H3

Standard InChI Key:  CSTWTUNLOLFSII-UHFFFAOYSA-N

Molfile:  

 
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M  END

Alternative Forms

1. Parent:

   

   ALA4566995

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 474.56

Molecular Weight (Monoisotopic): 474.2267

AlogP: 3.12

#Rotatable Bonds: 7

Polar Surface Area: 70.63

Molecular Species: NEUTRAL

HBA: 8

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 8

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 3.81

CX LogP: 2.04

CX LogD: 2.04

Aromatic Rings: 4

Heavy Atoms: 35

QED Weighted: 0.41

Np Likeness Score: -1.38

References

1.  (2018)  Nitrogen-containing heterocyclic compound, 

Source

Source(1):

• Patent Bioactivity Data