N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylquinoline-3-carboxamide

• ChemBase ID: 582294
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: n1c(noc1C1CCC1)CN(C(=O)c1cc2c(nc1)cccc2)CC
• Canonical SMILES: CCN(C(=O)c1cnc2c(c1)cccc2)Cc1noc(n1)C1CCC1
• InChI: InChI=1S/C19H20N4O2/c1-2-23(12-17-21-18(25-22-17)13-7-5-8-13)19(24)15-10-14-6-3-4-9-16(14)20-11-15/h3-4,6,9-11,13H,2,5,7-8,12H2,1H3
• InChIKey: UUQYCULSGJYXFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylquinoline-3-carboxamide
• IUPAC Traditional name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylquinoline-3-carboxamide
• Synonyms: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylquinoline-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0848105
• LogD (pH = 7.4): 3.0861292
• Log P: 3.0861459
• Molar Refractivity: 94.78 cm^3
• Polarizability: 36.558033 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.15
• LOG S: -3.49
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 5