6-methoxy-N-[2-(5-methylfuran-2-yl)ethyl]-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 553104
• Molecular Formular: C18H20N2O4
• Molecular Mass: 328.3624
• Monoisotopic Mass: 328.14230713
• SMILES: c12C(C(=O)NCCc3oc(cc3)C)CC(=O)Nc1ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)C(CC(=O)N2)C(=O)NCCc1ccc(o1)C
• InChI: InChI=1S/C18H20N2O4/c1-11-3-4-12(24-11)7-8-19-18(22)15-10-17(21)20-16-6-5-13(23-2)9-14(15)16/h3-6,9,15H,7-8,10H2,1-2H3,(H,19,22)(H,20,21)
• InChIKey: GZWYFMIGQGSVOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-N-[2-(5-methylfuran-2-yl)ethyl]-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: 6-methoxy-N-[2-(5-methylfuran-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: 6-methoxy-N-[2-(5-methyl-2-furyl)ethyl]-2-oxo-1,2,3,4-tetrahydro-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.143531
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0426663
• LogD (pH = 7.4): 1.0426663
• Log P: 1.0426663
• Molar Refractivity: 90.6265 cm^3
• Polarizability: 33.82045 Å^3
• Polar Surface Area: 80.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.46
• LOG S: -2.84
• Polar Surface Area: 80.57 Å^2
• Rotatable Bonds: 5