N-ethyl-6-methoxy-2-oxo-N-{[2-(prop-2-en-1-yloxy)phenyl]methyl}-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 333499
• Molecular Formular: C23H26N2O4
• Molecular Mass: 394.46354
• Monoisotopic Mass: 394.18925732
• SMILES: C1(C(=O)N(Cc2c(OCC=C)cccc2)CC)c2c(NC(=O)C1)ccc(c2)OC
• Canonical SMILES: C=CCOc1ccccc1CN(C(=O)C1CC(=O)Nc2c1cc(OC)cc2)CC
• InChI: InChI=1S/C23H26N2O4/c1-4-12-29-21-9-7-6-8-16(21)15-25(5-2)23(27)19-14-22(26)24-20-11-10-17(28-3)13-18(19)20/h4,6-11,13,19H,1,5,12,14-15H2,2-3H3,(H,24,26)
• InChIKey: VUCPXVPAVDURHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-6-methoxy-2-oxo-N-{[2-(prop-2-en-1-yloxy)phenyl]methyl}-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: N-ethyl-6-methoxy-2-oxo-N-{[2-(prop-2-en-1-yloxy)phenyl]methyl}-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: N-[2-(allyloxy)benzyl]-N-ethyl-6-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.224319
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8769612
• LogD (pH = 7.4): 2.8769612
• Log P: 2.8769612
• Molar Refractivity: 113.4917 cm^3
• Polarizability: 42.95867 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.36
• LOG S: -4.95
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 8