6-(4-Methoxyphenylamino)-9-methoxy-11H-indeno[1,2-c]quinolin-11-one

ID: ALA2047431

Chembl Id: CHEMBL2047431

PubChem CID: 24205226

Max Phase: Preclinical

Molecular Formula: C24H18N2O3

Molecular Weight: 382.42

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  COc1ccc(Nc2nc3ccccc3c3c2-c2ccc(OC)cc2C3=O)cc1

Standard InChI:  InChI=1S/C24H18N2O3/c1-28-15-9-7-14(8-10-15)25-24-22-17-12-11-16(29-2)13-19(17)23(27)21(22)18-5-3-4-6-20(18)26-24/h3-13H,1-2H3,(H,25,26)

Standard InChI Key:  MPJIEEKLRIIFCI-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA2047431

   9-Methoxy-6-(4-methoxyanilino)indeno[1,2-c]quinolin-11-one

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 382.42

Molecular Weight (Monoisotopic): 382.1317

AlogP: 5.21

#Rotatable Bonds: 4

Polar Surface Area: 60.45

Molecular Species: NEUTRAL

HBA: 5

HBD: 1

#RO5 Violations: 1

HBA (Lipinski): 5

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 1

CX Acidic pKa:

CX Basic pKa: 2.99

CX LogP: 4.98

CX LogD: 4.98

Aromatic Rings: 4

Heavy Atoms: 29

QED Weighted: 0.46

Np Likeness Score: -0.29

References

1. Tseng CH, Chen YL, Yang CL, Cheng CM, Han CH, Tzeng CC..  (2012)  Synthesis of 6-substituted 9-methoxy-11H-indeno[1,2-c]quinoline-11-one derivatives as potential anticancer agents.,  20  (14): [PMID:22705019] [10.1016/j.bmc.2012.05.035]

Source

Source(1):

• Scientific Literature