8-methoxy-2-oxo-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 843437
• Molecular Formular: C23H26N2O3
• Molecular Mass: 378.46414
• Monoisotopic Mass: 378.1943427
• SMILES: C1(C(=O)N(C/C=C/c2ccccc2)CCC)c2c(NC(=O)C1)c(OC)ccc2
• Canonical SMILES: CCCN(C(=O)C1CC(=O)Nc2c1cccc2OC)C/C=C/c1ccccc1
• InChI: InChI=1S/C23H26N2O3/c1-3-14-25(15-8-11-17-9-5-4-6-10-17)23(27)19-16-21(26)24-22-18(19)12-7-13-20(22)28-2/h4-13,19H,3,14-16H2,1-2H3,(H,24,26)/b11-8+
• InChIKey: YCDGQLWVMZKYDH-DHZHZOJOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2-oxo-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: 8-methoxy-2-oxo-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propyl-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: 8-methoxy-2-oxo-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.2094965
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4358206
• LogD (pH = 7.4): 3.4358144
• Log P: 3.4358208
• Molar Refractivity: 112.7084 cm^3
• Polarizability: 42.362537 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.91
• LOG S: -5.3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7