Molecule ID: 486623

IUPAC Name: 9-ethyl-7-methoxy-1-methylpyrido[3,4-b]indole

Description: The molecule is a member of the class of beta-carbolines that is 9H-beta-carboline substituted by a ethyl group at position 9, 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, a semisynthetic derivative and a member of beta-carbolines. It derives from a harmine.

SMILES: CCn1c2cc(OC)ccc2c2ccnc(C)c21

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

InChI: InChI=1S/C15H16N2O/c1-4-17-14-9-11(18-3)5-6-12(14)13-7-8-16-10(2)15(13)17/h5-9H,4H2,1-3H3

Molecular Properties:
- Polar Surface Area: 27.0 Ų
- LogP: 3.8