2-{[3-(3-methoxyphenyl)-2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl]oxy}acetamide

• ChemBase ID: 221267
• Molecular Formular: C18H17N3O4
• Molecular Mass: 339.34528
• Monoisotopic Mass: 339.12190604
• SMILES: n1(c(=O)c2c(nc1C)ccc(c2)OCC(=O)N)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)n1c(C)nc2c(c1=O)cc(cc2)OCC(=O)N
• InChI: InChI=1S/C18H17N3O4/c1-11-20-16-7-6-14(25-10-17(19)22)9-15(16)18(23)21(11)12-4-3-5-13(8-12)24-2/h3-9H,10H2,1-2H3,(H2,19,22)
• InChIKey: QGYGUJMGPLBXRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[3-(3-methoxyphenyl)-2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl]oxy}acetamide
• IUPAC Traditional name: 2-{[3-(3-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]oxy}acetamide

Database IDs

• PubChem SID: 164277177
• PubChem CID: 42507423

CALCULATED PROPERTIES

• Acid pKa: 14.53017
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0107728
• LogD (pH = 7.4): 1.0107732
• Log P: 1.0107732
• Molar Refractivity: 92.8974 cm^3
• Polarizability: 34.705498 Å^3
• Polar Surface Area: 94.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds