3,4-dimethoxy-N-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)ethyl]benzamide

• ChemBase ID: 224697
• Molecular Formular: C19H19N3O4
• Molecular Mass: 353.37186
• Monoisotopic Mass: 353.1375561
• SMILES: c1(=O)n(cnc2c1cccc2)CCNC(=O)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)C(=O)NCCn1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C19H19N3O4/c1-25-16-8-7-13(11-17(16)26-2)18(23)20-9-10-22-12-21-15-6-4-3-5-14(15)19(22)24/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)
• InChIKey: OQFYQPGZKWFDIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethoxy-N-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)ethyl]benzamide
• IUPAC Traditional name: 3,4-dimethoxy-N-[2-(4-oxoquinazolin-3-yl)ethyl]benzamide

Database IDs

• PubChem SID: 164280607
• PubChem CID: 52905216

CALCULATED PROPERTIES

• Acid pKa: 14.700095
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5069458
• LogD (pH = 7.4): 1.5090852
• Log P: 1.5091126
• Molar Refractivity: 98.7866 cm^3
• Polarizability: 36.158558 Å^3
• Polar Surface Area: 80.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds