Molecule ID: 5298

IUPAC Name: 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid

Description: The molecule is complex cytotoxic antibiotic obtained from Streptomyces flocculus or S. rufochronmogenus. It is used in advanced carcinoma and causes leukopenia. It has a role as an antimicrobial agent and an antineoplastic agent. It is a quinolone and a member of pyridines.

SMILES: COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O

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

InChI: InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)

Molecular Properties:
- Polar Surface Area: 197.0 Ų
- LogP: 1.8