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

• ChemBase ID: 365947
• Molecular Formular: C22H20N4O2
• Molecular Mass: 372.4198
• Monoisotopic Mass: 372.1586259
• SMILES: n1c(noc1c1ccccc1)CN(C(=O)c1c2c(nc(c1)C)c(ccc2)C)C
• Canonical SMILES: Cc1cc(C(=O)N(Cc2noc(n2)c2ccccc2)C)c2c(n1)c(C)ccc2
• InChI: InChI=1S/C22H20N4O2/c1-14-8-7-11-17-18(12-15(2)23-20(14)17)22(27)26(3)13-19-24-21(28-25-19)16-9-5-4-6-10-16/h4-12H,13H2,1-3H3
• InChIKey: WIKBOGOJXBGZPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.1409936
• LogD (pH = 7.4): 4.1447515
• Log P: 4.1447997
• Molar Refractivity: 118.3248 cm^3
• Polarizability: 41.981033 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: 3.53
• LOG S: -4.93
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4