3-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide

• ChemBase ID: 651050
• Molecular Formular: C19H24ClN3O
• Molecular Mass: 345.86636
• Monoisotopic Mass: 345.16079008
• SMILES: n1c(N2CC(CCC(=O)N(C)C)CCC2)ccc2c1ccc(c2)Cl
• Canonical SMILES: Clc1ccc2c(c1)ccc(n2)N1CCCC(C1)CCC(=O)N(C)C
• InChI: InChI=1S/C19H24ClN3O/c1-22(2)19(24)10-5-14-4-3-11-23(13-14)18-9-6-15-12-16(20)7-8-17(15)21-18/h6-9,12,14H,3-5,10-11,13H2,1-2H3
• InChIKey: BLJREKURMAXGOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide
• IUPAC Traditional name: 3-[1-(6-chloroquinolin-2-yl)piperidin-3-yl]-N,N-dimethylpropanamide
• Synonyms: 3-[1-(6-chloro-2-quinolinyl)-3-piperidinyl]-N,N-dimethylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7750156
• LogD (pH = 7.4): 3.8608747
• Log P: 3.8620906
• Molar Refractivity: 98.6228 cm^3
• Polarizability: 38.833687 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: 2.01
• LOG S: -3.44
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4