methyl 2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)acetate

• ChemBase ID: 221804
• Molecular Formular: C13H14N2O5
• Molecular Mass: 278.26066
• Monoisotopic Mass: 278.09027156
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)OC
• Canonical SMILES: COC(=O)Cn1cnc2c(c1=O)cc(c(c2)OC)OC
• InChI: InChI=1S/C13H14N2O5/c1-18-10-4-8-9(5-11(10)19-2)14-7-15(13(8)17)6-12(16)20-3/h4-5,7H,6H2,1-3H3
• InChIKey: OIJSCQAUXUYYIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)acetate
• IUPAC Traditional name: methyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetate

Database IDs

• PubChem SID: 164277714
• PubChem CID: 29148301

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.25650376
• LogD (pH = 7.4): 0.25694704
• Log P: 0.2569527
• Molar Refractivity: 71.5762 cm^3
• Polarizability: 26.427158 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds