Molecule ID: 160853

IUPAC Name: 7-methoxy-1,2-dimethylpyrido[3,4-b]indole

Description: The molecule is a member of the class of beta-carbolines that is 9H-beta-carboline substituted by a methoxy group at position 7 and methyl groups at positions 1 and 2. It is a 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 a member of beta-carbolines, an aromatic ether and a semisynthetic derivative. It derives from a harmine.

SMILES: COc1ccc2c3ccn(C)c(C)c-3nc2c1

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

InChI: InChI=1S/C14H14N2O/c1-9-14-12(6-7-16(9)2)11-5-4-10(17-3)8-13(11)15-14/h4-8H,1-3H3

Molecular Properties:
- Polar Surface Area: 27.0 Ų
- LogP: 2.3