2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide

• ChemBase ID: 225864
• Molecular Formular: C19H21N3O5
• Molecular Mass: 371.38714
• Monoisotopic Mass: 371.14812079
• SMILES: n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)CC(=O)NCCc1occc1
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CC(=O)NCCc1ccco1)C
• InChI: InChI=1S/C19H21N3O5/c1-12-21-15-10-17(26-3)16(25-2)9-14(15)19(24)22(12)11-18(23)20-7-6-13-5-4-8-27-13/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,23)
• InChIKey: MUWGEEPDPOHQSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(furan-2-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164281774
• PubChem CID: 71691879

CALCULATED PROPERTIES

• Acid pKa: 14.317381
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.42043483
• LogD (pH = 7.4): 0.421161
• Log P: 0.4211703
• Molar Refractivity: 99.8854 cm^3
• Polarizability: 36.968468 Å^3
• Polar Surface Area: 93.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds