2-(4-oxo-3,4-dihydroquinazolin-3-yl)ethyl 3,4-dimethoxybenzoate

• ChemBase ID: 223098
• Molecular Formular: C19H18N2O5
• Molecular Mass: 354.35662
• Monoisotopic Mass: 354.12157169
• SMILES: c1(=O)n(cnc2c1cccc2)CCOC(=O)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)C(=O)OCCn1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C19H18N2O5/c1-24-16-8-7-13(11-17(16)25-2)19(23)26-10-9-21-12-20-15-6-4-3-5-14(15)18(21)22/h3-8,11-12H,9-10H2,1-2H3
• InChIKey: HMBNCGITBKRFQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-oxo-3,4-dihydroquinazolin-3-yl)ethyl 3,4-dimethoxybenzoate
• IUPAC Traditional name: 2-(4-oxoquinazolin-3-yl)ethyl 3,4-dimethoxybenzoate

Database IDs

• PubChem SID: 164279008
• PubChem CID: 30337967

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.436464
• LogD (pH = 7.4): 2.4382503
• Log P: 2.4382732
• Molar Refractivity: 96.8368 cm^3
• Polarizability: 35.912895 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds