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

• Catalog: OFC182868800
• CAS: 182868-80-0
• Category: Fluorinated Quinolines
• Synonyms: 3-Quinolinecarboxylic acid, 1-cyclopropyl-8-ethoxy-6-fluoro-1,4-dihydro-7-(3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-
• Purity: 97%

• IUPAC Name: 1-cyclopropyl-8-ethoxy-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
• InChI: InChI=1S/C21H26FN3O4/c1-3-29-20-17-14(19(26)15(21(27)28)11-25(17)13-4-5-13)8-16(22)18(20)24-7-6-12(10-24)9-23-2/h8,11-13,23H,3-7,9-10H2,1-2H3,(H,27,28)
• InChI Key: HDMUHFXQBYLDTG-UHFFFAOYSA-N
• Isomeric SMILES: CCOC1=C2C(=CC(=C1N3CCC(C3)CNC)F)C(=O)C(=CN2C4CC4)C(=O)O

• Molecular Formula: C21H26FN3O4
• Molecular Weight: 403.45

• XLogP3-AA: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• 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: 683