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

• Catalog: OFC112811593-2
• CAS: 112811-59-3
• Category: Fluorinated Quinolines
• Synonyms: Gatifloxacin
• MDL Number: MFCD00895399

• IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
• InChI: InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)
• InChI Key: XUBOMFCQGDBHNK-UHFFFAOYSA-N
• Isomeric SMILES: CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
• EC Number: 664-293-2

• Molecular Formula: C19H22FN3O4
• Molecular Weight: 375.39

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 375.15943435 g/mol
• Monoisotopic Mass: 375.15943435 g/mol
• Topological Polar Surface Area: 82.1Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 653