Molecule ID: 3976

IUPAC Name: 6-anilinoquinoline-5,8-dione

Description: The molecule is a quinolone that is quinoline-5,8-dione in which the hydrogen at position 6 is replaced by an anilino group. It has a role as an antineoplastic agent and an EC 4.6.1.2 (guanylate cyclase) inhibitor. It is a quinolone, an aminoquinoline, an aromatic amine and a member of p-quinones.

SMILES: O=C1C(Nc2ccccc2)=CC(=O)c2ncccc21

SELFIES: [O][=C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]

InChI: InChI=1S/C15H10N2O2/c18-13-9-12(17-10-5-2-1-3-6-10)15(19)11-7-4-8-16-14(11)13/h1-9,17H

Molecular Properties:
- Polar Surface Area: 59.1 Ų
- LogP: 2.5