N-[2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide

• ChemBase ID: 227926
• Molecular Formular: C23H27N3O6
• Molecular Mass: 441.47698
• Monoisotopic Mass: 441.1899856
• SMILES: c1(=O)c2c(nc(n1CCNC(=O)Cc1cc(c(cc1)OC)OC)C)cc(c(c2)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)CC(=O)NCCn1c(C)nc2c(c1=O)cc(c(c2)OC)OC
• InChI: InChI=1S/C23H27N3O6/c1-14-25-17-13-21(32-5)20(31-4)12-16(17)23(28)26(14)9-8-24-22(27)11-15-6-7-18(29-2)19(10-15)30-3/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,24,27)
• InChIKey: ZDHQPMIYINIQAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
• IUPAC Traditional name: N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide

Database IDs

• PubChem SID: 164283836
• PubChem CID: 71755046

CALCULATED PROPERTIES

• Molar Refractivity: 120.2549 cm^3
• Polarizability: 45.11587 Å^3
• Polar Surface Area: 98.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true
• Acid pKa: 14.752191
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.2212186
• LogD (pH = 7.4): 1.2226162
• Log P: 1.2226341

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds