methyl 2-{[3-(2H-1,3-benzodioxol-5-yl)-2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl]oxy}acetate

• ChemBase ID: 220738
• Molecular Formular: C19H16N2O6
• Molecular Mass: 368.34014
• Monoisotopic Mass: 368.10083624
• SMILES: n1(c(=O)c2c(nc1C)ccc(c2)OCC(=O)OC)c1cc2c(OCO2)cc1
• Canonical SMILES: COC(=O)COc1ccc2c(c1)c(=O)n(c(n2)C)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C19H16N2O6/c1-11-20-15-5-4-13(25-9-18(22)24-2)8-14(15)19(23)21(11)12-3-6-16-17(7-12)27-10-26-16/h3-8H,9-10H2,1-2H3
• InChIKey: FSOHHYSOXSUKBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-{[3-(2H-1,3-benzodioxol-5-yl)-2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl]oxy}acetate
• IUPAC Traditional name: methyl 2-{[3-(2H-1,3-benzodioxol-5-yl)-2-methyl-4-oxoquinazolin-6-yl]oxy}acetate

Database IDs

• PubChem SID: 164276648
• PubChem CID: 42506779

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.7445143
• LogD (pH = 7.4): 1.7445146
• Log P: 1.7445146
• Molar Refractivity: 95.148 cm^3
• Polarizability: 36.102783 Å^3
• Polar Surface Area: 86.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds