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

• ChemBase ID: 849332
• Molecular Formular: C17H19N3O
• Molecular Mass: 281.35226
• Monoisotopic Mass: 281.15281224
• SMILES: c12c(nc(nc2)c2ccccc2)CCCC1NC(=O)CC
• Canonical SMILES: CCC(=O)NC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C17H19N3O/c1-2-16(21)19-14-9-6-10-15-13(14)11-18-17(20-15)12-7-4-3-5-8-12/h3-5,7-8,11,14H,2,6,9-10H2,1H3,(H,19,21)
• InChIKey: QSSCPVSRBVZNDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.369359
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9190016
• LogD (pH = 7.4): 2.919228
• Log P: 2.919231
• Molar Refractivity: 92.4355 cm^3
• Polarizability: 32.10916 Å^3
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.1
• LOG S: -4.02
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 2