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

• ChemBase ID: 194458
• Molecular Formular: C19H21N3O5
• Molecular Mass: 371.38714
• Monoisotopic Mass: 371.14812079
• SMILES: c12c(nc(NC(=O)C)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)C
• InChI: InChI=1S/C19H21N3O5/c1-10(23)21-19-20-9-13-14(22-19)5-11(6-15(13)24)12-7-16(25-2)18(27-4)17(8-12)26-3/h7-9,11H,5-6H2,1-4H3,(H,20,21,22,23)
• InChIKey: WMVPMFGAXCSMSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250368
• PubChem CID: 2916982

CALCULATED PROPERTIES

• Acid pKa: 11.97015
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.0958356
• LogD (pH = 7.4): 1.0958248
• Log P: 1.0958359
• Molar Refractivity: 99.4094 cm^3
• Polarizability: 37.329247 Å^3
• Polar Surface Area: 99.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds