3-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide

• ChemBase ID: 569956
• Molecular Formular: C20H26FN3O
• Molecular Mass: 343.4383432
• Monoisotopic Mass: 343.20599069
• SMILES: c1(nc2c(c(c1)C)cc(cc2)F)N1CC(CCC(=O)N(C)C)CCC1
• Canonical SMILES: Fc1ccc2c(c1)c(C)cc(n2)N1CCCC(C1)CCC(=O)N(C)C
• InChI: InChI=1S/C20H26FN3O/c1-14-11-19(22-18-8-7-16(21)12-17(14)18)24-10-4-5-15(13-24)6-9-20(25)23(2)3/h7-8,11-12,15H,4-6,9-10,13H2,1-3H3
• InChIKey: WTJSNDSCFDEVDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide
• IUPAC Traditional name: 3-[1-(6-fluoro-4-methylquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide
• Synonyms: 3-[1-(6-fluoro-4-methyl-2-quinolinyl)-3-piperidinyl]-N,N-dimethylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.496342
• LogD (pH = 7.4): 3.9052122
• Log P: 3.9141693
• Molar Refractivity: 99.0756 cm^3
• Polarizability: 38.380383 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.91
• LOG S: -3.33
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4