2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)ethyl 1-benzofuran-2-carboxylate

• ChemBase ID: 223027
• Molecular Formular: C20H16N2O4
• Molecular Mass: 348.35204
• Monoisotopic Mass: 348.111007
• SMILES: n1(c(=O)c2c(nc1C)cccc2)CCOC(=O)c1oc2c(c1)cccc2
• Canonical SMILES: O=C(c1cc2c(o1)cccc2)OCCn1c(C)nc2c(c1=O)cccc2
• InChI: InChI=1S/C20H16N2O4/c1-13-21-16-8-4-3-7-15(16)19(23)22(13)10-11-25-20(24)18-12-14-6-2-5-9-17(14)26-18/h2-9,12H,10-11H2,1H3
• InChIKey: HGDTUIGXJKBIFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)ethyl 1-benzofuran-2-carboxylate
• IUPAC Traditional name: 2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 1-benzofuran-2-carboxylate

Database IDs

• PubChem SID: 164278937
• PubChem CID: 30339156

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8787
• LogD (pH = 7.4): 2.8814044
• Log P: 2.881439
• Molar Refractivity: 97.1195 cm^3
• Polarizability: 37.066456 Å^3
• Polar Surface Area: 72.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds