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

• ChemBase ID: 226004
• Molecular Formular: C19H25N3O5
• Molecular Mass: 375.4189
• Monoisotopic Mass: 375.17942092
• SMILES: n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)CC(=O)NCC1CCOCC1
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CC(=O)NCC1CCOCC1)C
• InChI: InChI=1S/C19H25N3O5/c1-12-21-15-9-17(26-3)16(25-2)8-14(15)19(24)22(12)11-18(23)20-10-13-4-6-27-7-5-13/h8-9,13H,4-7,10-11H2,1-3H3,(H,20,23)
• InChIKey: SQRQMSTVRNIAJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281914
• PubChem CID: 71691994

CALCULATED PROPERTIES

• Acid pKa: 14.682886
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.0024578338
• LogD (pH = 7.4): -0.0017316462
• Log P: -0.001722359
• Molar Refractivity: 101.31 cm^3
• Polarizability: 37.837585 Å^3
• Polar Surface Area: 89.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds