1-Cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-8-ethoxy-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

• Catalog: OFC182868753
• CAS: 182868-75-3
• Category: Fluorinated Quinolines
• Synonyms: 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-8-ethoxy-6-fluoro-1,4-dihydro-4-oxo-
• Purity: 97%

• IUPAC Name: 1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-8-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid
• InChI: InChI=1S/C21H26FN3O4/c1-4-29-20-17-14(19(26)15(21(27)28)10-25(17)13-5-6-13)7-16(22)18(20)24-8-11(2)23-12(3)9-24/h7,10-13,23H,4-6,8-9H2,1-3H3,(H,27,28)
• InChI Key: KZZVMTDXSLAXNK-UHFFFAOYSA-N
• Isomeric SMILES: CCOC1=C2C(=CC(=C1N3CC(NC(C3)C)C)F)C(=O)C(=CN2C4CC4)C(=O)O

• Molecular Formula: C21H26FN3O4
• Molecular Weight: 403.45

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 403.19073448 g/mol
• Monoisotopic Mass: 403.19073448 g/mol
• Topological Polar Surface Area: 82.1Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 687