N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,6-tetramethylquinoline-4-carboxamide

• ChemBase ID: 496961
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: c1(C(=O)N(Cc2nnc(o2)CC)C)c2c(nc(c1C)C)ccc(c2)C
• Canonical SMILES: CCc1nnc(o1)CN(C(=O)c1c(C)c(C)nc2c1cc(C)cc2)C
• InChI: InChI=1S/C19H22N4O2/c1-6-16-21-22-17(25-16)10-23(5)19(24)18-12(3)13(4)20-15-8-7-11(2)9-14(15)18/h7-9H,6,10H2,1-5H3
• InChIKey: PIWKYYKOKUNRCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,6-tetramethylquinoline-4-carboxamide
• IUPAC Traditional name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,6-tetramethylquinoline-4-carboxamide
• Synonyms: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,6-tetramethyl-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1779592
• LogD (pH = 7.4): 2.1896348
• Log P: 2.1897857
• Molar Refractivity: 97.4578 cm^3
• Polarizability: 37.05371 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.14
• LOG S: -3.5
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4