N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-2-(2-oxoazepan-1-yl)acetamide

• ChemBase ID: 782534
• Molecular Formular: C17H21N3O3
• Molecular Mass: 315.36694
• Monoisotopic Mass: 315.15829155
• SMILES: C1(CC(=O)Nc2c1cccc2)NC(=O)CN1C(=O)CCCCC1
• Canonical SMILES: O=C(NC1CC(=O)Nc2c1cccc2)CN1CCCCCC1=O
• InChI: InChI=1S/C17H21N3O3/c21-15-10-14(12-6-3-4-7-13(12)18-15)19-16(22)11-20-9-5-1-2-8-17(20)23/h3-4,6-7,14H,1-2,5,8-11H2,(H,18,21)(H,19,22)
• InChIKey: ZOEQDWHUAREJPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-2-(2-oxoazepan-1-yl)acetamide
• IUPAC Traditional name: N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-2-(2-oxoazepan-1-yl)acetamide
• Synonyms: 2-(2-oxo-1-azepanyl)-N-(2-oxo-1,2,3,4-tetrahydro-4-quinolinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.228621
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.38821313
• LogD (pH = 7.4): 0.3882126
• Log P: 0.38821316
• Molar Refractivity: 86.4462 cm^3
• Polarizability: 32.76387 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.35
• LOG S: -2.31
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 3