6-fluoranyl-8-methoxy-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-8-methoxy-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Openeye Name: 6-fluoro-8-methoxy-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]quinoline-3-carboxylic acid CAS Name: 6-fluoro-8-methoxy-4-oxo-7-[4-(2-pyrimidinyl)-1-piperazinyl]-1-[4-(1-pyrrolidinylmethyl)phenyl]-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-8-methoxy-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-8-methoxy-7-[4-(2-pyrimidyl)piperazino]-1-[4-(pyrrolidinomethyl)phenyl]quinoline-3-carboxylic acid Formula: C30H31FN6O4 MolecularWeight: 558.603343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCN(CC3)C4=NC=CC=N4)F)C(=O)C(=CN2C5=CC=C(C=C5)CN6CCCC6)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCN(CC3)C4=NC=CC=N4)F)C(=O)C(=CN2C5=CC=C(C=C5)CN6CCCC6)C(=O)O

InChI

InChI=1S/C30H31FN6O4/c1-41-28-25-22(17-24(31)26(28)35-13-15-36(16-14-35)30-32-9-4-10-33-30)27(38)23(29(39)40)19-37(25)21-7-5-20(6-8-21)18-34-11-2-3-12-34/h4-10,17,19H,2-3,11-16,18H2,1H3,(H,39,40)