N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide

• ChemBase ID: 497537
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)N(C(c1c(OC)cccc1)C)C
• Canonical SMILES: COc1ccccc1C(N(C(=O)Cn1cnc2c(c1=O)cccc2)C)C
• InChI: InChI=1S/C20H21N3O3/c1-14(15-8-5-7-11-18(15)26-3)22(2)19(24)12-23-13-21-17-10-6-4-9-16(17)20(23)25/h4-11,13-14H,12H2,1-3H3
• InChIKey: SOIAWYMLVOSHNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide
• IUPAC Traditional name: N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
• Synonyms: N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3(4H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.19455
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0490484
• LogD (pH = 7.4): 2.0501733
• Log P: 2.0501876
• Molar Refractivity: 100.9909 cm^3
• Polarizability: 37.508675 Å^3
• Polar Surface Area: 62.21 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.0
• LOG S: -3.47
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 5