N-[2-(4-methoxyphenyl)ethyl]-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide

• ChemBase ID: 218058
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)NCCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)Cn1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C19H19N3O3/c1-25-15-8-6-14(7-9-15)10-11-20-18(23)12-22-13-21-17-5-3-2-4-16(17)19(22)24/h2-9,13H,10-12H2,1H3,(H,20,23)
• InChIKey: KEQYZSLDLREVDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)ethyl]-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide

Database IDs

• PubChem SID: 164273968
• PubChem CID: 7958271

CALCULATED PROPERTIES

• Acid pKa: 14.922358
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6974603
• LogD (pH = 7.4): 1.6985834
• Log P: 1.6985977
• Molar Refractivity: 96.4304 cm^3
• Polarizability: 35.672092 Å^3
• Polar Surface Area: 71.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds