N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

• ChemBase ID: 720158
• Molecular Formular: C20H18N4O3
• Molecular Mass: 362.38192
• Monoisotopic Mass: 362.13789046
• SMILES: n1c(noc1CCC(=O)NC1CC(=O)Nc2c1cccc2)c1ccccc1
• Canonical SMILES: O=C(NC1CC(=O)Nc2c1cccc2)CCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C20H18N4O3/c25-17(22-16-12-18(26)21-15-9-5-4-8-14(15)16)10-11-19-23-20(24-27-19)13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,21,26)(H,22,25)
• InChIKey: CTVSNWXEZFVXMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• IUPAC Traditional name: N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• Synonyms: N-(2-oxo-1,2,3,4-tetrahydro-4-quinolinyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 111.4242 cm^3
• Polarizability: 38.03777 Å^3
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.326105
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.6193042
• LogD (pH = 7.4): 2.6193037
• Log P: 2.6193042

供应商提供(Chembridge)

• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5
• H Donor: 2
• Log P: 2.85
• LOG S: -4.28