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

• ChemBase ID: 228026
• Molecular Formular: C17H23N3O4
• Molecular Mass: 333.38222
• Monoisotopic Mass: 333.16885623
• SMILES: c1(=O)c2c(nc(n1CCNC(=O)C(C)C)C)cc(c(c2)OC)OC
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CCNC(=O)C(C)C)C
• InChI: InChI=1S/C17H23N3O4/c1-10(2)16(21)18-6-7-20-11(3)19-13-9-15(24-5)14(23-4)8-12(13)17(20)22/h8-10H,6-7H2,1-5H3,(H,18,21)
• InChIKey: AKAXQFBKDFTUKN-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-methylpropanamide
• IUPAC Traditional name: N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]-2-methylpropanamide

Database IDs

• PubChem SID: 164283936
• PubChem CID: 71755145

CALCULATED PROPERTIES

• Acid pKa: 14.87825
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.9457431
• LogD (pH = 7.4): 0.9471411
• Log P: 0.94715893
• Molar Refractivity: 91.808 cm^3
• Polarizability: 34.161865 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