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

Systemtic Name: 5-azanyl-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-7-[2-(pyridin-2-ylamino)ethylamino]quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-[2-(2-pyridylamino)ethylamino]quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-[2-(2-pyridinylamino)ethylamino]-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-[2-(pyridin-2-ylamino)ethylamino]quinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-[2-(2-pyridylamino)ethylamino]quinoline-3-carboxylic acid Formula: C21H22FN5O4 MolecularWeight: 427.428883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)NCCNC4=CC=CC=N4

Isomeric SMILES

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)NCCNC4=CC=CC=N4

InChI

InChI=1S/C21H22FN5O4/c1-31-20-17(26-9-8-25-13-4-2-3-7-24-13)15(22)16(23)14-18(20)27(11-5-6-11)10-12(19(14)28)21(29)30/h2-4,7,10-11,26H,5-6,8-9,23H2,1H3,(H,24,25)(H,29,30)