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

• ChemBase ID: 198558
• Molecular Formular: C25H25N3O6
• Molecular Mass: 463.4825
• Monoisotopic Mass: 463.17433554
• SMILES: c12c(nc(NC(=O)c3ccc(cc3)OC)nc2)CC(c2cc(c(c(c2)OC)OC)OC)CC1=O
• Canonical SMILES: COc1ccc(cc1)C(=O)Nc1ncc2c(n1)CC(CC2=O)c1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C25H25N3O6/c1-31-17-7-5-14(6-8-17)24(30)28-25-26-13-18-19(27-25)9-15(10-20(18)29)16-11-21(32-2)23(34-4)22(12-16)33-3/h5-8,11-13,15H,9-10H2,1-4H3,(H,26,27,28,30)
• InChIKey: WEXGLEHPMUUUCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164254468
• PubChem CID: 4256088

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 2.7923107
• LogD (pH = 7.4): 2.7900882
• Log P: 2.792339
• Molar Refractivity: 126.5431 cm^3
• Polarizability: 47.551994 Å^3
• Polar Surface Area: 108.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 9.661983
• H Acceptors: 8

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds