5-azanyl-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-7-(2-pyridin-4-ylethylamino)quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-7-(2-pyridin-4-ylethylamino)quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-[2-(4-pyridyl)ethylamino]quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(2-pyridin-4-ylethylamino)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(2-pyridin-4-ylethylamino)quinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-[2-(4-pyridyl)ethylamino]quinoline-3-carboxylic acid Formula: C21H21FN4O4 MolecularWeight: 412.414243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)NCCC4=CC=NC=C4

Isomeric SMILES

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)NCCC4=CC=NC=C4

InChI

InChI=1S/C21H21FN4O4/c1-30-20-17(25-9-6-11-4-7-24-8-5-11)15(22)16(23)14-18(20)26(12-2-3-12)10-13(19(14)27)21(28)29/h4-5,7-8,10,12,25H,2-3,6,9,23H2,1H3,(H,28,29)