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

ID: ALA4525967

PubChem CID: 138461742

Max Phase: Preclinical

Molecular Formula: C28H32N4O3

Molecular Weight: 472.59

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CCCCn1cc(-c2ccccc2)n(-c2ccc3c(c2)c(N2CCOCC2)cc(=O)n3CC)c1=O

Standard InChI:  InChI=1S/C28H32N4O3/c1-3-5-13-30-20-26(21-9-7-6-8-10-21)32(28(30)34)22-11-12-24-23(18-22)25(19-27(33)31(24)4-2)29-14-16-35-17-15-29/h6-12,18-20H,3-5,13-17H2,1-2H3

Standard InChI Key:  DDLWZLRSTKCUOG-UHFFFAOYSA-N

Molfile:  

 
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M  END

Alternative Forms

1. Parent:

   

   ALA4525967

   ---

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: 472.59

Molecular Weight (Monoisotopic): 472.2474

AlogP: 4.28

#Rotatable Bonds: 7

Polar Surface Area: 61.40

Molecular Species: NEUTRAL

HBA: 7

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 7

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 3.81

CX LogP: 3.41

CX LogD: 3.41

Aromatic Rings: 4

Heavy Atoms: 35

QED Weighted: 0.40

Np Likeness Score: -1.30

References

1.  (2018)  Nitrogen-containing heterocyclic compound, 

Source

Source(1):

• Patent Bioactivity Data