N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-methoxy-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 837549
• Molecular Formular: C19H22N4O4
• Molecular Mass: 370.40238
• Monoisotopic Mass: 370.1641052
• SMILES: n1c(noc1C1CCC1)CN(C(=O)C1c2c(NC(=O)C1)ccc(c2)OC)C
• Canonical SMILES: COc1ccc2c(c1)C(CC(=O)N2)C(=O)N(Cc1noc(n1)C1CCC1)C
• InChI: InChI=1S/C19H22N4O4/c1-23(10-16-21-18(27-22-16)11-4-3-5-11)19(25)14-9-17(24)20-15-7-6-12(26-2)8-13(14)15/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,20,24)
• InChIKey: HKDGIQKWGOKEIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.224321
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6673809
• LogD (pH = 7.4): 1.6673808
• Log P: 1.6673809
• Molar Refractivity: 99.6849 cm^3
• Polarizability: 36.90793 Å^3
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.65
• LOG S: -2.46
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 5