6-methoxy-N-[3-(2-methoxyphenyl)propyl]-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 511298
• Molecular Formular: C21H24N2O4
• Molecular Mass: 368.42626
• Monoisotopic Mass: 368.17360726
• SMILES: c12C(C(=O)NCCCc3c(OC)cccc3)CC(=O)Nc1ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)C(CC(=O)N2)C(=O)NCCCc1ccccc1OC
• InChI: InChI=1S/C21H24N2O4/c1-26-15-9-10-18-16(12-15)17(13-20(24)23-18)21(25)22-11-5-7-14-6-3-4-8-19(14)27-2/h3-4,6,8-10,12,17H,5,7,11,13H2,1-2H3,(H,22,25)(H,23,24)
• InChIKey: AMOAKJBGAFPWTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-N-[3-(2-methoxyphenyl)propyl]-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: 6-methoxy-N-[3-(2-methoxyphenyl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: 6-methoxy-N-[3-(2-methoxyphenyl)propyl]-2-oxo-1,2,3,4-tetrahydro-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.186158
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2984571
• LogD (pH = 7.4): 2.2984571
• Log P: 2.2984574
• Molar Refractivity: 104.0397 cm^3
• Polarizability: 39.524044 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.2
• LOG S: -3.77
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 7