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

• ChemBase ID: 221714
• Molecular Formular: C19H20N4O6
• Molecular Mass: 400.3853
• Monoisotopic Mass: 400.13828438
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)NCC(=O)NCc1occc1
• Canonical SMILES: COc1cc2c(cc1OC)ncn(c2=O)CC(=O)NCC(=O)NCc1ccco1
• InChI: InChI=1S/C19H20N4O6/c1-27-15-6-13-14(7-16(15)28-2)22-11-23(19(13)26)10-18(25)21-9-17(24)20-8-12-4-3-5-29-12/h3-7,11H,8-10H2,1-2H3,(H,20,24)(H,21,25)
• InChIKey: FIMPTLKADDTJAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277624
• PubChem CID: 29148058

CALCULATED PROPERTIES

• Acid pKa: 11.556488
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.7932852
• LogD (pH = 7.4): -0.7928047
• Log P: -0.7927714
• Molar Refractivity: 103.333 cm^3
• Polarizability: 38.25745 Å^3
• Polar Surface Area: 122.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds