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

• ChemBase ID: 346686
• Molecular Formular: C20H18N4O3
• Molecular Mass: 362.38192
• Monoisotopic Mass: 362.13789046
• SMILES: n1c(noc1CCC(=O)N[C@@H]1C(=O)Nc2c(C1)cccc2)c1ccccc1
• Canonical SMILES: O=C(N[C@H]1Cc2ccccc2NC1=O)CCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C20H18N4O3/c25-17(21-16-12-14-8-4-5-9-15(14)22-20(16)26)10-11-18-23-19(24-27-18)13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,21,25)(H,22,26)/t16-/m0/s1
• InChIKey: HMALAMUWVBEKBY-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.103774
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.8168247
• LogD (pH = 7.4): 2.8168168
• Log P: 2.8168247
• Molar Refractivity: 111.5549 cm^3
• Polarizability: 38.03993 Å^3
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.66
• LOG S: -4.11
• Polar Surface Area: 97.12 Å^2
• Rotatable Bonds: 5