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

ID: ALA2047426

Chembl Id: CHEMBL2047426

PubChem CID: 24205228

Max Phase: Preclinical

Molecular Formula: C23H15ClN2O2

Molecular Weight: 386.84

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  COc1ccc2c(c1)C(=O)c1c-2c(Nc2ccc(Cl)cc2)nc2ccccc12

Standard InChI:  InChI=1S/C23H15ClN2O2/c1-28-15-10-11-16-18(12-15)22(27)20-17-4-2-3-5-19(17)26-23(21(16)20)25-14-8-6-13(24)7-9-14/h2-12H,1H3,(H,25,26)

Standard InChI Key:  KMUSSTSNBHDCHD-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA2047426

   6-(4-Chloroanilino)-9-methoxyindeno[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: 386.84

Molecular Weight (Monoisotopic): 386.0822

AlogP: 5.85

#Rotatable Bonds: 3

Polar Surface Area: 51.22

Molecular Species: NEUTRAL

HBA: 4

HBD: 1

#RO5 Violations: 1

HBA (Lipinski): 4

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 1

CX Acidic pKa:

CX Basic pKa: 2.78

CX LogP: 5.74

CX LogD: 5.74

Aromatic Rings: 4

Heavy Atoms: 28

QED Weighted: 0.42

Np Likeness Score: -0.52

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