Molecule ID: 11347895

IUPAC Name: 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoic acid

Description: The molecule is an aminobenzoic acid that is anthranilic acid substituted at position 5 by a (1-methoxy-2-methylindolizin-3-yl)carbonyl group. It has a role as an antineoplastic agent and a fibroblast growth factor receptor antagonist. It is a member of indolizines, an aminobenzoic acid, an aromatic ether and an aromatic ketone. It derives from an anthranilic acid. It is a conjugate acid of a 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate.

SMILES: COc1c(C)c(C(=O)c2ccc(N)c(C(=O)O)c2)n2ccccc12

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

InChI: InChI=1S/C18H16N2O4/c1-10-15(20-8-4-3-5-14(20)17(10)24-2)16(21)11-6-7-13(19)12(9-11)18(22)23/h3-9H,19H2,1-2H3,(H,22,23)

Molecular Properties:
- Polar Surface Area: 94.0 Ų
- LogP: 3.9