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

• Catalog: OFC182868822
• CAS: 182868-82-2
• Category: Fluorinated Quinolines
• Synonyms: 3-Quinolinecarboxylic acid, 1-cyclopropyl-8-ethoxy-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-
• Purity: 97%

• IUPAC Name: 1-cyclopropyl-8-ethoxy-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
• InChI: InChI=1S/C21H26FN3O4/c1-3-23-7-9-24(10-8-23)18-16(22)11-14-17(20(18)29-4-2)25(13-5-6-13)12-15(19(14)26)21(27)28/h11-13H,3-10H2,1-2H3,(H,27,28)
• InChI Key: NLAFJXNLLRYMPJ-UHFFFAOYSA-N
• Isomeric SMILES: CCN1CCN(CC1)C2=C(C=C3C(=C2OCC)N(C=C(C3=O)C(=O)O)C4CC4)F

• Molecular Formula: C21H26FN3O4
• Molecular Weight: 403.45

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 403.19073448 g/mol
• Monoisotopic Mass: 403.19073448 g/mol
• Topological Polar Surface Area: 73.3Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 675