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

• ChemBase ID: 392267
• Molecular Formular: C17H14Cl2N2O3
• Molecular Mass: 365.21066
• Monoisotopic Mass: 364.03814768
• SMILES: C1(CC(=O)Nc2c1cccc2)NC(=O)COc1c(cc(cc1)Cl)Cl
• Canonical SMILES: O=C(NC1CC(=O)Nc2c1cccc2)COc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C17H14Cl2N2O3/c18-10-5-6-15(12(19)7-10)24-9-17(23)21-14-8-16(22)20-13-4-2-1-3-11(13)14/h1-7,14H,8-9H2,(H,20,22)(H,21,23)
• InChIKey: SSKRTXJNLLJAAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.507656
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8786726
• LogD (pH = 7.4): 2.878643
• Log P: 2.878673
• Molar Refractivity: 92.2204 cm^3
• Polarizability: 35.30631 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: 3.83
• LOG S: -5.13
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4