1-Cyclopropyl-8-(Difluoromethoxy)-6-Fluoro-7-[(3S)-3-Methylpiperazin-1-Yl]-4-Oxoquinoline-3-Carboxylic Acid
[CAS# 153808-85-6]

Identification

• Name: 1-Cyclopropyl-8-(Difluoromethoxy)-6-Fluoro-7-[(3S)-3-Methylpiperazin-1-Yl]-4-Oxoquinoline-3-Carboxylic Acid
• Synonyms: 1-Cyclopropyl-8-(Difluoromethoxy)-6-Fluoro-7-[(3S)-3-Methylpiperazin-1-Yl]-4-Oxo-Quinoline-3-Carboxylic Acid; 1-Cyclopropyl-8-(Difluoromethoxy)-6-Fluoro-7-[(3S)-3-Methyl-1-Piperazinyl]-4-Oxo-3-Quinolinecarboxylic Acid; 1-Cyclopropyl-8-(Difluoromethoxy)-6-Fluoro-4-Keto-7-[(3S)-3-Methylpiperazin-1-Yl]Quinoline-3-Carboxylic Acid
• Molecular Formula: C₁₉H₂₀F₃N₃O₄
• Molecular Weight: 411.38
• CAS Registry Number: 153808-85-6
• SMILES: [C@H]4(NCCN(C3=C(OC(F)F)C1=C(C(=O)C(=CN1C2CC2)C(=O)O)C=C3F)C4)C
• InChI: 1S/C19H20F3N3O4/c1-9-7-24(5-4-23-9)15-13(20)6-11-14(17(15)29-19(21)22)25(10-2-3-10)8-12(16(11)26)18(27)28/h6,8-10,19,23H,2-5,7H2,1H3,(H,27,28)/t9-/m0/s1
• InChIKey: QBDBUKJBJJWZMG-VIFPVBQESA-N

Properties

• Density: 1.459g/cm³ (Cal.)
• Boiling point: 602.355°C at 760 mmHg (Cal.)
• Flash point: 318.093°C (Cal.)