N-[4-(3-cyanophenyl)-7-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl]-2-methoxyacetamide

• ChemBase ID: 477494
• Molecular Formular: C20H19N3O4
• Molecular Mass: 365.38256
• Monoisotopic Mass: 365.1375561
• SMILES: c12c(C(c3cc(C#N)ccc3)CC(=O)N1)cc(NC(=O)COC)c(c2)OC
• Canonical SMILES: COCC(=O)Nc1cc2c(cc1OC)NC(=O)CC2c1cccc(c1)C#N
• InChI: InChI=1S/C20H19N3O4/c1-26-11-20(25)23-17-7-15-14(13-5-3-4-12(6-13)10-21)8-19(24)22-16(15)9-18(17)27-2/h3-7,9,14H,8,11H2,1-2H3,(H,22,24)(H,23,25)
• InChIKey: RAGLOCBPSZRCCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(3-cyanophenyl)-7-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl]-2-methoxyacetamide
• IUPAC Traditional name: N-[4-(3-cyanophenyl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-2-methoxyacetamide
• Synonyms: N-[4-(3-cyanophenyl)-7-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl]-2-methoxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.687632
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.6994554
• LogD (pH = 7.4): 1.6994344
• Log P: 1.6994556
• Molar Refractivity: 102.3307 cm^3
• Polarizability: 37.694237 Å^3
• Polar Surface Area: 100.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.49
• LOG S: -2.55
• Polar Surface Area: 100.45 Å^2
• Rotatable Bonds: 5