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

• ChemBase ID: 727165
• Molecular Formular: C22H28N4O3
• Molecular Mass: 396.48272
• Monoisotopic Mass: 396.21614078
• SMILES: c1(nc2c(C(NC(=O)COc3ccccc3)CC(C2)(C)C)cn1)N1CCOCC1
• Canonical SMILES: O=C(NC1CC(C)(C)Cc2c1cnc(n2)N1CCOCC1)COc1ccccc1
• InChI: InChI=1S/C22H28N4O3/c1-22(2)12-18(24-20(27)15-29-16-6-4-3-5-7-16)17-14-23-21(25-19(17)13-22)26-8-10-28-11-9-26/h3-7,14,18H,8-13,15H2,1-2H3,(H,24,27)
• InChIKey: NTAUDYJBYUJWBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.1400585
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.524608
• LogD (pH = 7.4): 2.5292978
• Log P: 2.5293586
• Molar Refractivity: 110.8324 cm^3
• Polarizability: 42.41926 Å^3
• Polar Surface Area: 76.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.82
• LOG S: -4.6
• Polar Surface Area: 76.58 Å^2
• Rotatable Bonds: 5