2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide

• ChemBase ID: 226442
• Molecular Formular: C19H20N4O4
• Molecular Mass: 368.3865
• Monoisotopic Mass: 368.14845514
• SMILES: n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)CC(=O)NCc1ccncc1
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CC(=O)NCc1ccncc1)C
• InChI: InChI=1S/C19H20N4O4/c1-12-22-15-9-17(27-3)16(26-2)8-14(15)19(25)23(12)11-18(24)21-10-13-4-6-20-7-5-13/h4-9H,10-11H2,1-3H3,(H,21,24)
• InChIKey: UNSBSMOKXYMIPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
• IUPAC Traditional name: 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide

Database IDs

• PubChem SID: 164282352
• PubChem CID: 71692384

CALCULATED PROPERTIES

• Acid pKa: 14.26352
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.027131034
• LogD (pH = 7.4): 0.08166112
• Log P: 0.083291486
• Molar Refractivity: 100.4722 cm^3
• Polarizability: 37.33034 Å^3
• Polar Surface Area: 93.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds