6-Fluoro-1-(methylamino)-7-(4-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
[CAS# 86393-37-5]

Identification

• Name: 6-Fluoro-1-(methylamino)-7-(4-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
• Synonyms: 6-Fluoro-1,4-dihydro-1-(methylamino)-7-(4-methyl-1-piperazinyl)- 4-oxo-3-quinolinecarboxylic acid; 6-Fluoro-1,4-dihydro-1-(methylamino)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; 6-Fluoro-1-methylamino-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
• Molecular Formula: C₁₆H₁₉FN₄O₃
• Molecular Weight: 334.35
• CAS Registry Number: 86393-37-5
• EINECS: 289-231-8
• SMILES: CNN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O
• InChI: 1S/C16H19FN4O3/c1-18-21-9-11(16(23)24)15(22)10-7-12(17)14(8-13(10)21)20-5-3-19(2)4-6-20/h7-9,18H,3-6H2,1-2H3,(H,23,24)
• InChIKey: RUXPNBWPIRDVTH-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 532.5±60.0°C at 760 mmHg (Cal.)
• Flash point: 275.8±32.9°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370