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

• ChemBase ID: 222779
• Molecular Formular: C20H20N2O6
• Molecular Mass: 384.3826
• Monoisotopic Mass: 384.13213637
• SMILES: c1(=O)n(cnc2c1cccc2)CCOC(=O)c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)OCCn1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C20H20N2O6/c1-25-16-10-13(11-17(26-2)18(16)27-3)20(24)28-9-8-22-12-21-15-7-5-4-6-14(15)19(22)23/h4-7,10-12H,8-9H2,1-3H3
• InChIKey: ZPQGJVWTZKIZDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164278689
• PubChem CID: 30337978

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.2787929
• LogD (pH = 7.4): 2.280579
• Log P: 2.280602
• Molar Refractivity: 103.3 cm^3
• Polarizability: 38.457355 Å^3
• Polar Surface Area: 86.66 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds