2-[2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]-N-(propan-2-yl)acetamide

• ChemBase ID: 221829
• Molecular Formular: C17H22N4O5
• Molecular Mass: 362.38038
• Monoisotopic Mass: 362.15901982
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)NCC(=O)NC(C)C
• Canonical SMILES: COc1cc2c(cc1OC)ncn(c2=O)CC(=O)NCC(=O)NC(C)C
• InChI: InChI=1S/C17H22N4O5/c1-10(2)20-15(22)7-18-16(23)8-21-9-19-12-6-14(26-4)13(25-3)5-11(12)17(21)24/h5-6,9-10H,7-8H2,1-4H3,(H,18,23)(H,20,22)
• InChIKey: DXUXCOHHKCYGEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]-N-(propan-2-yl)acetamide
• IUPAC Traditional name: 2-[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamido]-N-isopropylacetamide

Database IDs

• PubChem SID: 164277739
• PubChem CID: 29148379

CALCULATED PROPERTIES

• Acid pKa: 11.955991
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.80462176
• LogD (pH = 7.4): -0.8041253
• Log P: -0.80410814
• Molar Refractivity: 95.4969 cm^3
• Polarizability: 35.44213 Å^3
• Polar Surface Area: 109.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds