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

• ChemBase ID: 403190
• Molecular Formular: C13H20N4O2
• Molecular Mass: 264.3235
• Monoisotopic Mass: 264.1586259
• SMILES: c1(nc2c(C(NC(=O)COC)CCC2)cn1)N(C)C
• Canonical SMILES: COCC(=O)NC1CCCc2c1cnc(n2)N(C)C
• InChI: InChI=1S/C13H20N4O2/c1-17(2)13-14-7-9-10(15-12(18)8-19-3)5-4-6-11(9)16-13/h7,10H,4-6,8H2,1-3H3,(H,15,18)
• InChIKey: WBZBWLXKGPGWMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methoxyacetamide
• IUPAC Traditional name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methoxyacetamide
• Synonyms: N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]-2-methoxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.135351
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.46259582
• LogD (pH = 7.4): 0.46967593
• Log P: 0.4697677
• Molar Refractivity: 73.2255 cm^3
• Polarizability: 27.374039 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.27
• LOG S: -2.35
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 2