2-(diethylamino)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide

• ChemBase ID: 532685
• Molecular Formular: C16H27N5O
• Molecular Mass: 305.41848
• Monoisotopic Mass: 305.22156051
• SMILES: c1(nc2c(C(NC(=O)CN(CC)CC)CCC2)cn1)N(C)C
• Canonical SMILES: CCN(CC(=O)NC1CCCc2c1cnc(n2)N(C)C)CC
• InChI: InChI=1S/C16H27N5O/c1-5-21(6-2)11-15(22)18-13-8-7-9-14-12(13)10-17-16(19-14)20(3)4/h10,13H,5-9,11H2,1-4H3,(H,18,22)
• InChIKey: FBKJNVCTEWKMNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diethylamino)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
• IUPAC Traditional name: 2-(diethylamino)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
• Synonyms: N~1~-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]-N~2~,N~2~-diethylglycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.879448
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.2679969
• LogD (pH = 7.4): 0.5075478
• Log P: 1.2490036
• Molar Refractivity: 89.6983 cm^3
• Polarizability: 33.702103 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.71
• LOG S: -2.96
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 2