2-(4-oxo-3,4-dihydroquinazolin-3-yl)ethyl 3,5-dimethoxybenzoate

• ChemBase ID: 222761
• Molecular Formular: C19H18N2O5
• Molecular Mass: 354.35662
• Monoisotopic Mass: 354.12157169
• SMILES: c1(=O)n(cnc2c1cccc2)CCOC(=O)c1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(OC)cc(c1)C(=O)OCCn1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C19H18N2O5/c1-24-14-9-13(10-15(11-14)25-2)19(23)26-8-7-21-12-20-17-6-4-3-5-16(17)18(21)22/h3-6,9-12H,7-8H2,1-2H3
• InChIKey: QIFZHSUVVOOVFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-oxo-3,4-dihydroquinazolin-3-yl)ethyl 3,5-dimethoxybenzoate
• IUPAC Traditional name: 2-(4-oxoquinazolin-3-yl)ethyl 3,5-dimethoxybenzoate

Database IDs

• PubChem SID: 164278671
• PubChem CID: 30337972

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: 35.91197 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