6-(3-Phenoxyphenyl)-7H-indolo[2,3-c]quinoline

ID: ALA3422774

PubChem CID: 118735874

Max Phase: Preclinical

Molecular Formula: C27H18N2O

Molecular Weight: 386.45

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  c1ccc(Oc2ccc(-c3nc4ccccc4c4c3[nH]c3ccccc34)cc2)cc1

Standard InChI:  InChI=1S/C27H18N2O/c1-2-8-19(9-3-1)30-20-16-14-18(15-17-20)26-27-25(21-10-4-6-12-23(21)28-26)22-11-5-7-13-24(22)29-27/h1-17,29H

Standard InChI Key:  GBLVFECPYJBMOA-UHFFFAOYSA-N

Molfile:  

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M  END

Alternative Forms

1. Parent:

   

   ALA3422774

   ---

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: 386.45

Molecular Weight (Monoisotopic): 386.1419

AlogP: 7.33

#Rotatable Bonds: 3

Polar Surface Area: 37.91

Molecular Species: NEUTRAL

HBA: 2

HBD: 1

#RO5 Violations: 1

HBA (Lipinski): 3

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 1

CX Acidic pKa: 13.11

CX Basic pKa: 2.64

CX LogP: 6.78

CX LogD: 6.78

Aromatic Rings: 6

Heavy Atoms: 30

QED Weighted: 0.35

Np Likeness Score: -0.33

References

1. Srihari P, Padmabhavani B, Ramesh S, Bharath Kumar Y, Singh A, Ummanni R..  (2015)  PMA-SiO2 catalyzed synthesis of indolo[2,3-c]quinolines as potent anti cancer agents.,  25  (11): [PMID:25933593] [10.1016/j.bmcl.2015.04.018]

Source

Source(1):

• Scientific Literature