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

• ChemBase ID: 227380
• Molecular Formular: C19H17N3O4
• Molecular Mass: 351.35598
• Monoisotopic Mass: 351.12190604
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)NCC(=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)CNC(=O)Cn1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C19H17N3O4/c1-26-14-8-6-13(7-9-14)17(23)10-20-18(24)11-22-12-21-16-5-3-2-4-15(16)19(22)25/h2-9,12H,10-11H2,1H3,(H,20,24)
• InChIKey: NHCQDIZLXBKFHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283290
• PubChem CID: 71754510

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.91654813
• LogD (pH = 7.4): 0.91766614
• Log P: 0.9176857
• Molar Refractivity: 96.9645 cm^3
• Polarizability: 35.75068 Å^3
• Polar Surface Area: 88.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 12.26737

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds