ethyl 3-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)propanoate

• ChemBase ID: 119972
• Molecular Formular: C15H18N2O5
• Molecular Mass: 306.31382
• Monoisotopic Mass: 306.12157169
• SMILES: c12c(=O)n(cnc1cc(c(c2)OC)OC)CCC(=O)OCC
• Canonical SMILES: CCOC(=O)CCn1cnc2c(c1=O)cc(c(c2)OC)OC
• InChI: InChI=1S/C15H18N2O5/c1-4-22-14(18)5-6-17-9-16-11-8-13(21-3)12(20-2)7-10(11)15(17)19/h7-9H,4-6H2,1-3H3
• InChIKey: PIYJNSMBXIGDBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)propanoate
• IUPAC Traditional name: ethyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoate
• Synonyms: ethyl 3-(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)propanoate

Database IDs

• PubChem SID: 162108215
• PubChem CID: 10686085

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.8497529
• LogD (pH = 7.4): 0.8507605
• Log P: 0.8507734
• Molar Refractivity: 81.0242 cm^3
• Polarizability: 30.077631 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true