N,2,7,8-tetramethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinoline-4-carboxamide

• ChemBase ID: 854021
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: c1(C(=O)N(Cc2nnc(o2)C)C)c2c(nc(c1)C)c(c(cc2)C)C
• Canonical SMILES: Cc1nnc(o1)CN(C(=O)c1cc(C)nc2c1ccc(c2C)C)C
• InChI: InChI=1S/C18H20N4O2/c1-10-6-7-14-15(8-11(2)19-17(14)12(10)3)18(23)22(5)9-16-21-20-13(4)24-16/h6-8H,9H2,1-5H3
• InChIKey: MSSJTWBVSBFYOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,7,8-tetramethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinoline-4-carboxamide
• IUPAC Traditional name: N,2,7,8-tetramethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinoline-4-carboxamide
• Synonyms: N,2,7,8-tetramethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 92.8309 cm^3
• Polarizability: 35.213566 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4801767
• LogD (pH = 7.4): 1.4891344
• Log P: 1.4892498

供应商提供(Chembridge)

• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 3
• H Acceptors: 5
• H Donor: 0
• Log P: 1.61
• LOG S: -2.94