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

• ChemBase ID: 194223
• Molecular Formular: C24H23N3O5
• Molecular Mass: 433.45652
• Monoisotopic Mass: 433.16377085
• SMILES: c12c(nc(NC(=O)c3ccccc3)nc2)CC(c2cc(c(c(c2)OC)OC)OC)CC1=O
• Canonical SMILES: COc1cc(cc(c1OC)OC)C1CC(=O)c2c(C1)nc(nc2)NC(=O)c1ccccc1
• InChI: InChI=1S/C24H23N3O5/c1-30-20-11-16(12-21(31-2)22(20)32-3)15-9-18-17(19(28)10-15)13-25-24(26-18)27-23(29)14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3,(H,25,26,27,29)
• InChIKey: QNNMRNJQKZRRPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250133
• PubChem CID: 2927353

CALCULATED PROPERTIES

• Acid pKa: 9.483512
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 2.9499674
• LogD (pH = 7.4): 2.9466205
• Log P: 2.9500103
• Molar Refractivity: 120.0799 cm^3
• Polarizability: 45.01682 Å^3
• Polar Surface Area: 99.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds