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

• ChemBase ID: 226341
• Molecular Formular: C17H24N4O4
• Molecular Mass: 348.39686
• Monoisotopic Mass: 348.17975527
• SMILES: n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)CC(=O)NCCN(C)C
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CC(=O)NCCN(C)C)C
• InChI: InChI=1S/C17H24N4O4/c1-11-19-13-9-15(25-5)14(24-4)8-12(13)17(23)21(11)10-16(22)18-6-7-20(2)3/h8-9H,6-7,10H2,1-5H3,(H,18,22)
• InChIKey: CEFLBFBEPODUEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282251
• PubChem CID: 71692285

CALCULATED PROPERTIES

• Acid pKa: 14.68471
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -3.2937229
• LogD (pH = 7.4): -1.5444988
• Log P: -0.40486467
• Molar Refractivity: 96.0356 cm^3
• Polarizability: 35.691288 Å^3
• Polar Surface Area: 83.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds