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

• ChemBase ID: 227217
• Molecular Formular: C20H22N4O4
• Molecular Mass: 382.41308
• Monoisotopic Mass: 382.1641052
• SMILES: n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)CC(=O)NCCc1ncccc1
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CC(=O)NCCc1ccccn1)C
• InChI: InChI=1S/C20H22N4O4/c1-13-23-16-11-18(28-3)17(27-2)10-15(16)20(26)24(13)12-19(25)22-9-7-14-6-4-5-8-21-14/h4-6,8,10-11H,7,9,12H2,1-3H3,(H,22,25)
• InChIKey: JPFGSTQZVWNTAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283127
• PubChem CID: 71754349

CALCULATED PROPERTIES

• Acid pKa: 14.508237
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.35704342
• LogD (pH = 7.4): 0.40118203
• Log P: 0.4017761
• Molar Refractivity: 104.6494 cm^3
• Polarizability: 39.166504 Å^3
• Polar Surface Area: 93.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds