N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(3-hydroxyphenyl)acetamide

• ChemBase ID: 653044
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: c1(nc2c(C(NC(=O)Cc3cc(O)ccc3)CCC2)cn1)N(C)C
• Canonical SMILES: O=C(NC1CCCc2c1cnc(n2)N(C)C)Cc1cccc(c1)O
• InChI: InChI=1S/C18H22N4O2/c1-22(2)18-19-11-14-15(7-4-8-16(14)21-18)20-17(24)10-12-5-3-6-13(23)9-12/h3,5-6,9,11,15,23H,4,7-8,10H2,1-2H3,(H,20,24)
• InChIKey: HNILVLGQYLCZDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(3-hydroxyphenyl)acetamide
• IUPAC Traditional name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(3-hydroxyphenyl)acetamide
• Synonyms: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(3-hydroxyphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.438083
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.1674418
• LogD (pH = 7.4): 2.1706357
• Log P: 2.1746638
• Molar Refractivity: 93.4749 cm^3
• Polarizability: 35.009056 Å^3
• Polar Surface Area: 78.35 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: 2.29
• LOG S: -2.96
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 4