N-[7-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide

• ChemBase ID: 188537
• Molecular Formular: C18H19N3O4
• Molecular Mass: 341.36116
• Monoisotopic Mass: 341.1375561
• SMILES: c12c(nc(NC(=O)C)nc2)CC(CC1=O)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)C1CC(=O)c2c(C1)nc(nc2)NC(=O)C
• InChI: InChI=1S/C18H19N3O4/c1-10(22)20-18-19-9-13-14(21-18)6-12(7-15(13)23)11-4-5-16(24-2)17(8-11)25-3/h4-5,8-9,12H,6-7H2,1-3H3,(H,19,20,21,22)
• InChIKey: MEWWVJLSSHMAQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[7-(3,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide
• IUPAC Traditional name: N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide

Database IDs

• PubChem SID: 164244447
• PubChem CID: 3834422

CALCULATED PROPERTIES

• Acid pKa: 11.970181
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.2535068
• LogD (pH = 7.4): 1.253496
• Log P: 1.2535073
• Molar Refractivity: 92.9462 cm^3
• Polarizability: 34.785435 Å^3
• Polar Surface Area: 90.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds