1-(2,4-Difluorophenyl)-7-(4-ethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

• Catalog: OFC182869109
• CAS: 182869-10-9
• Category: Fluorinated Quinolines
• Synonyms: 3-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-7-(4-ethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-
• Purity: 97%

• IUPAC Name: 1-(2,4-difluorophenyl)-7-(4-ethylpiperazin-1-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
• InChI: InChI=1S/C22H19F4N3O3/c1-2-27-5-7-28(8-6-27)20-16(25)10-13-19(18(20)26)29(11-14(21(13)30)22(31)32)17-4-3-12(23)9-15(17)24/h3-4,9-11H,2,5-8H2,1H3,(H,31,32)
• InChI Key: DRNMUQPIMQPZRM-UHFFFAOYSA-N
• Isomeric SMILES: CCN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F

• Molecular Formula: C22H19F4N3O3
• Molecular Weight: 449.40

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 449.13625412 g/mol
• Monoisotopic Mass: 449.13625412 g/mol
• Topological Polar Surface Area: 64.1Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 761