2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

• ChemBase ID: 225896
• Molecular Formular: C18H20N4O4S
• Molecular Mass: 388.4408
• Monoisotopic Mass: 388.12052614
• SMILES: n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)CC(=O)NCCc1nccs1
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CC(=O)NCCc1nccs1)C
• InChI: InChI=1S/C18H20N4O4S/c1-11-21-13-9-15(26-3)14(25-2)8-12(13)18(24)22(11)10-16(23)19-5-4-17-20-6-7-27-17/h6-9H,4-5,10H2,1-3H3,(H,19,23)
• InChIKey: OSISFNFMHAOHEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164281806
• PubChem CID: 71691907

CALCULATED PROPERTIES

• Acid pKa: 14.26989
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.26881614
• LogD (pH = 7.4): 0.26992172
• Log P: 0.26993588
• Molar Refractivity: 101.8639 cm^3
• Polarizability: 37.91104 Å^3
• Polar Surface Area: 93.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds