3-(2-oxopyrrolidin-1-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide

• ChemBase ID: 638428
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c12c(nc(nc2)c2ccccc2)CCCC1NC(=O)CCN1C(=O)CCC1
• Canonical SMILES: O=C(NC1CCCc2c1cnc(n2)c1ccccc1)CCN1CCCC1=O
• InChI: InChI=1S/C21H24N4O2/c26-19(11-13-25-12-5-10-20(25)27)23-17-8-4-9-18-16(17)14-22-21(24-18)15-6-2-1-3-7-15/h1-3,6-7,14,17H,4-5,8-13H2,(H,23,26)
• InChIKey: LRKMJGUOCKEWDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-oxopyrrolidin-1-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
• IUPAC Traditional name: 3-(2-oxopyrrolidin-1-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
• Synonyms: 3-(2-oxo-1-pyrrolidinyl)-N-(2-phenyl-5,6,7,8-tetrahydro-5-quinazolinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.28029
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8453025
• LogD (pH = 7.4): 1.8455292
• Log P: 1.8455322
• Molar Refractivity: 113.1035 cm^3
• Polarizability: 39.946655 Å^3
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.65
• LOG S: -3.55
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 5