N-[2-oxo-4-(quinolin-4-yl)-1,2,3,4-tetrahydroquinolin-7-yl]acetamide

• ChemBase ID: 381849
• Molecular Formular: C20H17N3O2
• Molecular Mass: 331.36788
• Monoisotopic Mass: 331.1320768
• SMILES: C1(c2c(NC(=O)C1)cc(NC(=O)C)cc2)c1c2c(ncc1)cccc2
• Canonical SMILES: O=C1Nc2cc(ccc2C(C1)c1ccnc2c1cccc2)NC(=O)C
• InChI: InChI=1S/C20H17N3O2/c1-12(24)22-13-6-7-16-17(11-20(25)23-19(16)10-13)14-8-9-21-18-5-3-2-4-15(14)18/h2-10,17H,11H2,1H3,(H,22,24)(H,23,25)
• InChIKey: VFGRTAJNBNNYAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-oxo-4-(quinolin-4-yl)-1,2,3,4-tetrahydroquinolin-7-yl]acetamide
• IUPAC Traditional name: N-[2-oxo-4-(quinolin-4-yl)-3,4-dihydro-1H-quinolin-7-yl]acetamide
• Synonyms: N-(2-oxo-1,2,3,4-tetrahydro-4,4'-biquinolin-7-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.410253
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2998497
• LogD (pH = 7.4): 2.332374
• Log P: 2.3328068
• Molar Refractivity: 97.6138 cm^3
• Polarizability: 37.41276 Å^3
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.76
• LOG S: -3.12
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 2