N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-4-(piperidin-1-ylmethyl)benzamide

• ChemBase ID: 752920
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: C1(NC(=O)c2ccc(CN3CCCCC3)cc2)CC(=O)Nc2c1cccc2
• Canonical SMILES: O=C1CC(NC(=O)c2ccc(cc2)CN2CCCCC2)c2c(N1)cccc2
• InChI: InChI=1S/C22H25N3O2/c26-21-14-20(18-6-2-3-7-19(18)23-21)24-22(27)17-10-8-16(9-11-17)15-25-12-4-1-5-13-25/h2-3,6-11,20H,1,4-5,12-15H2,(H,23,26)(H,24,27)
• InChIKey: USEKOVRMGHKCJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-4-(piperidin-1-ylmethyl)benzamide
• IUPAC Traditional name: N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-4-(piperidin-1-ylmethyl)benzamide
• Synonyms: N-(2-oxo-1,2,3,4-tetrahydro-4-quinolinyl)-4-(1-piperidinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.58478
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.37406188
• LogD (pH = 7.4): 1.24307
• Log P: 2.7996173
• Molar Refractivity: 108.0039 cm^3
• Polarizability: 40.58537 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.1
• LOG S: -3.64
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4