methyl 2-{[3-(3-methoxyphenyl)-2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl]oxy}acetate

• ChemBase ID: 221025
• Molecular Formular: C19H18N2O5
• Molecular Mass: 354.35662
• Monoisotopic Mass: 354.12157169
• SMILES: n1(c(=O)c2c(nc1C)ccc(c2)OCC(=O)OC)c1cc(OC)ccc1
• Canonical SMILES: COC(=O)COc1ccc2c(c1)c(=O)n(c(n2)C)c1cccc(c1)OC
• InChI: InChI=1S/C19H18N2O5/c1-12-20-17-8-7-15(26-11-18(22)25-3)10-16(17)19(23)21(12)13-5-4-6-14(9-13)24-2/h4-10H,11H2,1-3H3
• InChIKey: SXFSBQQHNHMCCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-{[3-(3-methoxyphenyl)-2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl]oxy}acetate
• IUPAC Traditional name: methyl 2-{[3-(3-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]oxy}acetate

Database IDs

• PubChem SID: 164276935
• PubChem CID: 42507143

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9636096
• LogD (pH = 7.4): 1.9636098
• Log P: 1.9636098
• Molar Refractivity: 95.8443 cm^3
• Polarizability: 36.109566 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds