Methyl 4-(piperazin-1-yl-n-boc protected)-6-(trifluoromethyl)quinoline-2-carboxylate

• Catalog: OFC887267654
• CAS: 887267-65-4
• Category: Fluorinated Quinolines
• MDL Number: MFCD08458035

• IUPAC Name: methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-6-(trifluoromethyl)quinoline-2-carboxylate
• InChI: InChI=1S/C21H24F3N3O4/c1-20(2,3)31-19(29)27-9-7-26(8-10-27)17-12-16(18(28)30-4)25-15-6-5-13(11-14(15)17)21(22,23)24/h5-6,11-12H,7-10H2,1-4H3
• InChI Key: HPQVAASFXFTHKS-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=C(C=C3)C(F)(F)F)C(=O)OC

• Molecular Formula: C21H24F3N3O4
• Molecular Weight: 439.43

• XLogP3-AA: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 439.17189074 g/mol
• Monoisotopic Mass: 439.17189074 g/mol
• Topological Polar Surface Area: 72Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 659