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

• ChemBase ID: 221790
• Molecular Formular: C18H17N3O5
• Molecular Mass: 355.34468
• Monoisotopic Mass: 355.11682066
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)Nc1c(O)cccc1
• Canonical SMILES: COc1cc2c(cc1OC)ncn(c2=O)CC(=O)Nc1ccccc1O
• InChI: InChI=1S/C18H17N3O5/c1-25-15-7-11-13(8-16(15)26-2)19-10-21(18(11)24)9-17(23)20-12-5-3-4-6-14(12)22/h3-8,10,22H,9H2,1-2H3,(H,20,23)
• InChIKey: KUAGLUQVNAPQNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277700
• PubChem CID: 29148262

CALCULATED PROPERTIES

• Acid pKa: 8.775416
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.2410526
• LogD (pH = 7.4): 1.2239873
• Log P: 1.2417952
• Molar Refractivity: 97.0653 cm^3
• Polarizability: 35.16676 Å^3
• Polar Surface Area: 100.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds