ethyl 4,6-dihydroxyquinazoline-2-carboxylate

• ChemBase ID: 803774
• Molecular Formular: C11H10N2O4
• Molecular Mass: 234.2081
• Monoisotopic Mass: 234.06405681
• SMILES: c1(ccc2nc(nc(c2c1)O)C(=O)OCC)O
• Canonical SMILES: CCOC(=O)c1nc(O)c2c(n1)ccc(c2)O
• InChI: InChI=1S/C11H10N2O4/c1-2-17-11(16)9-12-8-4-3-6(14)5-7(8)10(15)13-9/h3-5,14H,2H2,1H3,(H,12,13,15)
• InChIKey: AXZKRWQYNOVGCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4,6-dihydroxyquinazoline-2-carboxylate
• IUPAC Traditional name: ethyl 4,6-dihydroxyquinazoline-2-carboxylate
• Synonyms: ETHYL 4,6-DIHYDROXYQUINAZOLINE-2-CARBOXYLATE

CALCULATED PROPERTIES

• Acid pKa: 9.055858
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.2016978
• LogD (pH = 7.4): 2.192372
• Log P: 2.2018185
• Molar Refractivity: 59.5106 cm^3
• Polarizability: 23.566998 Å^3
• Polar Surface Area: 92.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%