6-(4-(2,2'-Bithiophen-5-yl)phenyl)-7H-indolo[2,3-c]quinoline

ID: ALA3422781

PubChem CID: 118735881

Max Phase: Preclinical

Molecular Formula: C23H14N2S2

Molecular Weight: 382.51

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  c1csc(-c2ccc(-c3nc4ccccc4c4c3[nH]c3ccccc34)s2)c1

Standard InChI:  InChI=1S/C23H14N2S2/c1-3-8-16-14(6-1)21-15-7-2-4-9-17(15)25-23(21)22(24-16)20-12-11-19(27-20)18-10-5-13-26-18/h1-13,25H

Standard InChI Key:  LFGDFUDBPKTYGE-UHFFFAOYSA-N

Molfile:  

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M  END

Alternative Forms

1. Parent:

   

   ALA3422781

   ---

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: 382.51

Molecular Weight (Monoisotopic): 382.0598

AlogP: 7.33

#Rotatable Bonds: 2

Polar Surface Area: 28.68

Molecular Species: NEUTRAL

HBA: 3

HBD: 1

#RO5 Violations: 1

HBA (Lipinski): 2

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 1

CX Acidic pKa: 12.71

CX Basic pKa: 1.51

CX LogP: 6.48

CX LogD: 6.48

Aromatic Rings: 6

Heavy Atoms: 27

QED Weighted: 0.33

Np Likeness Score: -0.53

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