N,9-Dimethyl-N-(2-methylquinolin-4-yl)-9H-carbazol-3-amine

ID: ALA4458738

Chembl Id: CHEMBL4458738

PubChem CID: 146506866

Max Phase: Preclinical

Molecular Formula: C24H21N3

Molecular Weight: 351.45

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  Cc1cc(N(C)c2ccc3c(c2)c2ccccc2n3C)c2ccccc2n1

Standard InChI:  InChI=1S/C24H21N3/c1-16-14-24(19-9-4-6-10-21(19)25-16)26(2)17-12-13-23-20(15-17)18-8-5-7-11-22(18)27(23)3/h4-15H,1-3H3

Standard InChI Key:  HNFYXEYNFBSZFB-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4458738

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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: 351.45

Molecular Weight (Monoisotopic): 351.1735

AlogP: 5.96

#Rotatable Bonds: 2

Polar Surface Area: 21.06

Molecular Species: NEUTRAL

HBA: 3

HBD: ┄

#RO5 Violations: 1

HBA (Lipinski): 3

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): 1

CX Acidic pKa: ┄

CX Basic pKa: 7.91

CX LogP: 5.27

CX LogD: 4.66

Aromatic Rings: 5

Heavy Atoms: 27

QED Weighted: 0.39

Np Likeness Score: -0.84

References

1. Khelifi I, Naret T, Hamze A, Bignon J, Levaique H, Garcia Alvarez MC, Dubois J, Provot O, Alami M..  (2019)  N,N-bis-heteroaryl methylamines: Potent anti-mitotic and highly cytotoxic agents.,  168  [PMID:30818177] [10.1016/j.ejmech.2019.02.038]

Source

Source(1):

• Scientific Literature