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

• ChemBase ID: 226252
• Molecular Formular: C15H19N3O5
• Molecular Mass: 321.32846
• Monoisotopic Mass: 321.13247072
• SMILES: n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)CC(=O)NCCO
• Canonical SMILES: Cc1nc2cc(OC)c(cc2c(=O)n1CC(=O)NCCO)OC
• InChI: InChI=1S/C15H19N3O5/c1-9-17-11-7-13(23-3)12(22-2)6-10(11)15(21)18(9)8-14(20)16-4-5-19/h6-7,19H,4-5,8H2,1-3H3,(H,16,20)
• InChIKey: ZRWPSILIJKMZDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282162
• PubChem CID: 71692211

CALCULATED PROPERTIES

• Acid pKa: 14.365718
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.1143467
• LogD (pH = 7.4): -1.1136205
• Log P: -1.1136112
• Molar Refractivity: 84.3088 cm^3
• Polarizability: 31.168232 Å^3
• Polar Surface Area: 100.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds