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

• ChemBase ID: 377415
• Molecular Formular: C17H20N4O
• Molecular Mass: 296.3669
• Monoisotopic Mass: 296.16371128
• SMILES: c12c(nc(nc2)c2ccccc2)CCCC1NC(=O)CNC
• Canonical SMILES: CNCC(=O)NC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C17H20N4O/c1-18-11-16(22)20-14-8-5-9-15-13(14)10-19-17(21-15)12-6-3-2-4-7-12/h2-4,6-7,10,14,18H,5,8-9,11H2,1H3,(H,20,22)
• InChIKey: MSNADHPBLZLXTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
• IUPAC Traditional name: 2-(methylamino)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
• Synonyms: 2-(methylamino)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.894122
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2817179
• LogD (pH = 7.4): 0.33717784
• Log P: 1.7526687
• Molar Refractivity: 95.9429 cm^3
• Polarizability: 33.63376 Å^3
• Polar Surface Area: 66.91 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: 2.21
• LOG S: -3.25
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 4