2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)-N-(2-methylpropyl)acetamide

• ChemBase ID: 226160
• Molecular Formular: C17H23N3O4
• Molecular Mass: 333.38222
• Monoisotopic Mass: 333.16885623
• SMILES: n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)CC(=O)NCC(C)C
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CC(=O)NCC(C)C)C
• InChI: InChI=1S/C17H23N3O4/c1-10(2)8-18-16(21)9-20-11(3)19-13-7-15(24-5)14(23-4)6-12(13)17(20)22/h6-7,10H,8-9H2,1-5H3,(H,18,21)
• InChIKey: RSNHKKIKLIJODT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282070
• PubChem CID: 71692130

CALCULATED PROPERTIES

• Acid pKa: 14.68825
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.8200585
• LogD (pH = 7.4): 0.8207847
• Log P: 0.820794
• Molar Refractivity: 91.7607 cm^3
• Polarizability: 34.161793 Å^3
• Polar Surface Area: 80.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds