1-Cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid

• Catalog: OFC182868504
• CAS: 182868-50-4
• Category: Fluorinated Quinolines
• Synonyms: 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-
• Purity: 97%

• IUPAC Name: 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
• InChI: InChI=1S/C20H21F4N3O3/c1-2-25-5-7-26(8-6-25)17-14(21)9-12-16(15(17)20(22,23)24)27(11-3-4-11)10-13(18(12)28)19(29)30/h9-11H,2-8H2,1H3,(H,29,30)
• InChI Key: PUFKGBBADJSTFI-UHFFFAOYSA-N
• Isomeric SMILES: CCN1CCN(CC1)C2=C(C=C3C(=C2C(F)(F)F)N(C=C(C3=O)C(=O)O)C4CC4)F

• Molecular Formula: C20H21F4N3O3
• Molecular Weight: 427.39

• XLogP3-AA: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 427.15190419 g/mol
• Monoisotopic Mass: 427.15190419 g/mol
• Topological Polar Surface Area: 64.1Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 731