1-Tert-Butyl-7-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]-6-Fluoro-4-Oxoquinoline-3-Carboxylic Acid
[CAS# 116162-85-7]

Identification

• Name: 1-Tert-Butyl-7-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]-6-Fluoro-4-Oxoquinoline-3-Carboxylic Acid
• Synonyms: 1-Tert-Butyl-7-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]-6-Fluoro-4-Oxo-Quinoline-3-Carboxylic Acid; 1-Tert-Butyl-7-[(3R,5S)-3,5-Dimethyl-1-Piperazinyl]-6-Fluoro-4-Oxo-3-Quinolinecarboxylic Acid; 1-Tert-Butyl-7-[(3R,5S)-3,5-Dimethylpiperazin-1-Yl]-6-Fluoro-4-Keto-Quinoline-3-Carboxylic Acid
• Molecular Formula: C₂₀H₂₆FN₃O₃
• Molecular Weight: 375.44
• CAS Registry Number: 116162-85-7
• SMILES: [C@H]3(N[C@@H](CN(C2=CC1=C(C(=O)C(=CN1C(C)(C)C)C(=O)O)C=C2F)C3)C)C
• InChI: 1S/C20H26FN3O3/c1-11-8-23(9-12(2)22-11)17-7-16-13(6-15(17)21)18(25)14(19(26)27)10-24(16)20(3,4)5/h6-7,10-12,22H,8-9H2,1-5H3,(H,26,27)/t11-,12+
• InChIKey: ZKXANRKOHXSTKC-TXEJJXNPSA-N

Properties

• Density: 1.227g/cm³ (Cal.)
• Boiling point: 555.859°C at 760 mmHg (Cal.)
• Flash point: 289.973°C (Cal.)