5-azanyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[2-(pyridin-2-ylamino)ethylamino]quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[2-(pyridin-2-ylamino)ethylamino]quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6-fluoro-4-oxo-7-[2-(2-pyridylamino)ethylamino]quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6-fluoro-4-oxo-7-[2-(2-pyridinylamino)ethylamino]-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6-fluoro-4-oxo-7-[2-(pyridin-2-ylamino)ethylamino]quinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6-fluoro-4-keto-7-[2-(2-pyridylamino)ethylamino]quinoline-3-carboxylic acid Formula: C20H20FN5O3 MolecularWeight: 397.402903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C(C(=C(C=C32)NCCNC4=CC=CC=N4)F)N)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C(C(=C(C=C32)NCCNC4=CC=CC=N4)F)N)C(=O)O

InChI

InChI=1S/C20H20FN5O3/c21-17-13(23-7-8-25-15-3-1-2-6-24-15)9-14-16(18(17)22)19(27)12(20(28)29)10-26(14)11-4-5-11/h1-3,6,9-11,23H,4-5,7-8,22H2,(H,24,25)(H,28,29)