6-methoxy-N-methyl-2-oxo-N-{[5-(propan-2-yl)-1,2-oxazol-3-yl]methyl}-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 833303
• Molecular Formular: C19H23N3O4
• Molecular Mass: 357.40362
• Monoisotopic Mass: 357.16885623
• SMILES: C1(C(=O)N(Cc2noc(c2)C(C)C)C)c2c(NC(=O)C1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)C(CC(=O)N2)C(=O)N(Cc1noc(c1)C(C)C)C
• InChI: InChI=1S/C19H23N3O4/c1-11(2)17-7-12(21-26-17)10-22(3)19(24)15-9-18(23)20-16-6-5-13(25-4)8-14(15)16/h5-8,11,15H,9-10H2,1-4H3,(H,20,23)
• InChIKey: KXOAIMOHYNDCDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-N-methyl-2-oxo-N-{[5-(propan-2-yl)-1,2-oxazol-3-yl]methyl}-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: N-[(5-isopropyl-1,2-oxazol-3-yl)methyl]-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: N-[(5-isopropyl-3-isoxazolyl)methyl]-6-methoxy-N-methyl-2-oxo-1,2,3,4-tetrahydro-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.224321
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4796476
• LogD (pH = 7.4): 1.4796485
• Log P: 1.4796486
• Molar Refractivity: 98.1823 cm^3
• Polarizability: 36.63091 Å^3
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.96
• LOG S: -2.63
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 5