Molecule ID: 5482465

IUPAC Name: 6-bromo-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole

Description: The molecule is a member of the class of beta-carbolines that is 9H-beta-carboline substituted by a bromo group at position 6, a methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity. It has a role as an anti-HIV agent. It is an aromatic ether, an organobromine compound and a semisynthetic derivative. It derives from a harmine. It is a conjugate base of a 6-bromoharminium(1+).

SMILES: COc1cc2[nH]c3c(C)nccc3c2cc1Br

SELFIES: [C][O][C][=C][C][NH1][C][=C][Branch1][C][C][N][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][=C][Ring1][=C][Br]

InChI: InChI=1S/C13H11BrN2O/c1-7-13-8(3-4-15-7)9-5-10(14)12(17-2)6-11(9)16-13/h3-6,16H,1-2H3

Molecular Properties:
- Polar Surface Area: 37.9 Ų
- LogP: 4.3