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

• ChemBase ID: 221766
• Molecular Formular: C14H17N3O5
• Molecular Mass: 307.30188
• Monoisotopic Mass: 307.11682066
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)NCCO
• Canonical SMILES: COc1cc2c(=O)n(CC(=O)NCCO)cnc2cc1OC
• InChI: InChI=1S/C14H17N3O5/c1-21-11-5-9-10(6-12(11)22-2)16-8-17(14(9)20)7-13(19)15-3-4-18/h5-6,8,18H,3-4,7H2,1-2H3,(H,15,19)
• InChIKey: GVHVZRYZORKEKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277676
• PubChem CID: 29148185

CALCULATED PROPERTIES

• Acid pKa: 14.282707
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.1628233
• LogD (pH = 7.4): -1.1623164
• Log P: -1.1623099
• Molar Refractivity: 79.8183 cm^3
• Polarizability: 29.344398 Å^3
• Polar Surface Area: 100.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds