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

• ChemBase ID: 690817
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: n1c(onc1CC)CN(C(=O)c1c2c(ncc1)ccc(c2)C)CC
• Canonical SMILES: CCN(C(=O)c1ccnc2c1cc(C)cc2)Cc1onc(n1)CC
• InChI: InChI=1S/C18H20N4O2/c1-4-16-20-17(24-21-16)11-22(5-2)18(23)13-8-9-19-15-7-6-12(3)10-14(13)15/h6-10H,4-5,11H2,1-3H3
• InChIKey: HSQKAYOPWONNSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0983727
• LogD (pH = 7.4): 3.0994723
• Log P: 3.0994864
• Molar Refractivity: 92.4479 cm^3
• Polarizability: 35.368225 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: 2.26
• LOG S: -3.19
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 3