N-[7,7-dimethyl-2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide

• ChemBase ID: 436810
• Molecular Formular: C16H24N4O2
• Molecular Mass: 304.38736
• Monoisotopic Mass: 304.18992603
• SMILES: c1(nc2c(C(NC(=O)C)CC(C2)(C)C)cn1)N1CCOCC1
• Canonical SMILES: CC(=O)NC1CC(C)(C)Cc2c1cnc(n2)N1CCOCC1
• InChI: InChI=1S/C16H24N4O2/c1-11(21)18-13-8-16(2,3)9-14-12(13)10-17-15(19-14)20-4-6-22-7-5-20/h10,13H,4-9H2,1-3H3,(H,18,21)
• InChIKey: RMIGTDAMIVEPMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[7,7-dimethyl-2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
• IUPAC Traditional name: N-[7,7-dimethyl-2-(morpholin-4-yl)-6,8-dihydro-5H-quinazolin-5-yl]acetamide
• Synonyms: N-[7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.198376
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0077041
• LogD (pH = 7.4): 1.0123949
• Log P: 1.012455
• Molar Refractivity: 84.8703 cm^3
• Polarizability: 32.15847 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.07
• LOG S: -3.11
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 2