3-azanyl-6-fluoranyl-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-azanyl-6-fluoranyl-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxylic acid Openeye Name: 3-amino-6-fluoro-2-[4-(3-pyridyl)phenyl]quinoline-4-carboxylic acid CAS Name: 3-amino-6-fluoro-2-[4-(3-pyridinyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 3-amino-6-fluoro-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-amino-6-fluoro-2-[4-(3-pyridyl)phenyl]cinchoninic acid Formula: C21H14FN3O2 MolecularWeight: 359.353163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=CC=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)F)C(=O)O)N

Isomeric SMILES

C1=CC(=CN=C1)C2=CC=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)F)C(=O)O)N

InChI

InChI=1S/C21H14FN3O2/c22-15-7-8-17-16(10-15)18(21(26)27)19(23)20(25-17)13-5-3-12(4-6-13)14-2-1-9-24-11-14/h1-11H,23H2,(H,26,27)