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

• ChemBase ID: 638367
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: n1c(oc(n1)CNC(=O)c1c2NCCCc2ccc1)c1ccccc1
• Canonical SMILES: O=C(c1cccc2c1NCCC2)NCc1nnc(o1)c1ccccc1
• InChI: InChI=1S/C19H18N4O2/c24-18(15-10-4-8-13-9-5-11-20-17(13)15)21-12-16-22-23-19(25-16)14-6-2-1-3-7-14/h1-4,6-8,10,20H,5,9,11-12H2,(H,21,24)
• InChIKey: ZNTGBQYZXVCCDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.97161
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.457177
• LogD (pH = 7.4): 2.4586284
• Log P: 2.458647
• Molar Refractivity: 108.1043 cm^3
• Polarizability: 35.84135 Å^3
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.54
• LOG S: -3.81
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 4