2-[2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]-N-(2-hydroxyethyl)acetamide

• ChemBase ID: 221417
• Molecular Formular: C16H20N4O6
• Molecular Mass: 364.3532
• Monoisotopic Mass: 364.13828438
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)NCC(=O)NCCO
• Canonical SMILES: COc1cc2c(=O)n(CC(=O)NCC(=O)NCCO)cnc2cc1OC
• InChI: InChI=1S/C16H20N4O6/c1-25-12-5-10-11(6-13(12)26-2)19-9-20(16(10)24)8-15(23)18-7-14(22)17-3-4-21/h5-6,9,21H,3-4,7-8H2,1-2H3,(H,17,22)(H,18,23)
• InChIKey: NNVPUZHHJRXSDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277327
• PubChem CID: 29147303

CALCULATED PROPERTIES

• Acid pKa: 11.830846
• H Acceptors: 7
• H Donor: 3
• LogD (pH = 5.5): -2.2681067
• LogD (pH = 7.4): -2.267614
• Log P: -2.2675931
• Molar Refractivity: 92.6218 cm^3
• Polarizability: 34.296654 Å^3
• Polar Surface Area: 129.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds