N-(4-cyclopropyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-methoxybenzamide

• ChemBase ID: 509021
• Molecular Formular: C20H20N2O3
• Molecular Mass: 336.3844
• Monoisotopic Mass: 336.14739251
• SMILES: c12NC(=O)CC(c1ccc(NC(=O)c1c(OC)cccc1)c2)C1CC1
• Canonical SMILES: COc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)CC2C1CC1
• InChI: InChI=1S/C20H20N2O3/c1-25-18-5-3-2-4-15(18)20(24)21-13-8-9-14-16(12-6-7-12)11-19(23)22-17(14)10-13/h2-5,8-10,12,16H,6-7,11H2,1H3,(H,21,24)(H,22,23)
• InChIKey: VFVKWAVWHBTZCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-cyclopropyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-methoxybenzamide
• IUPAC Traditional name: N-(4-cyclopropyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-methoxybenzamide
• Synonyms: N-(4-cyclopropyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.947952
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.0057132
• LogD (pH = 7.4): 3.0057123
• Log P: 3.0057135
• Molar Refractivity: 98.0786 cm^3
• Polarizability: 36.240513 Å^3
• Polar Surface Area: 67.43 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: 2.81
• LOG S: -4.05
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4