2-[(1-acetylpiperidin-4-yl)oxy]-5-chloro-N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)benzamide

• ChemBase ID: 347954
• Molecular Formular: C23H24ClN3O4
• Molecular Mass: 441.90736
• Monoisotopic Mass: 441.14553394
• SMILES: c1(C(=O)NC2CC(=O)Nc3c2cccc3)c(OC2CCN(C(=O)C)CC2)ccc(c1)Cl
• Canonical SMILES: O=C1CC(NC(=O)c2cc(Cl)ccc2OC2CCN(CC2)C(=O)C)c2c(N1)cccc2
• InChI: InChI=1S/C23H24ClN3O4/c1-14(28)27-10-8-16(9-11-27)31-21-7-6-15(24)12-18(21)23(30)26-20-13-22(29)25-19-5-3-2-4-17(19)20/h2-7,12,16,20H,8-11,13H2,1H3,(H,25,29)(H,26,30)
• InChIKey: MCDFYELZMRMZIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-acetylpiperidin-4-yl)oxy]-5-chloro-N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)benzamide
• IUPAC Traditional name: 2-[(1-acetylpiperidin-4-yl)oxy]-5-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)benzamide
• Synonyms: 2-[(1-acetyl-4-piperidinyl)oxy]-5-chloro-N-(2-oxo-1,2,3,4-tetrahydro-4-quinolinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.3495655
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7079283
• LogD (pH = 7.4): 1.707928
• Log P: 1.7079284
• Molar Refractivity: 118.3095 cm^3
• Polarizability: 44.705505 Å^3
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.54
• LOG S: -5.02
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 4