2-[2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamido]-N-(propan-2-yl)acetamide

• ChemBase ID: 223120
• Molecular Formular: C15H18N4O3
• Molecular Mass: 302.32842
• Monoisotopic Mass: 302.13789046
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)NCC(=O)NC(C)C
• Canonical SMILES: CC(NC(=O)CNC(=O)Cn1cnc2c(c1=O)cccc2)C
• InChI: InChI=1S/C15H18N4O3/c1-10(2)18-13(20)7-16-14(21)8-19-9-17-12-6-4-3-5-11(12)15(19)22/h3-6,9-10H,7-8H2,1-2H3,(H,16,21)(H,18,20)
• InChIKey: RMWVAOLEHMSXLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279030
• PubChem CID: 9287250

CALCULATED PROPERTIES

• Acid pKa: 12.318494
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.48990324
• LogD (pH = 7.4): -0.4887846
• Log P: -0.48876563
• Molar Refractivity: 82.5705 cm^3
• Polarizability: 30.344374 Å^3
• Polar Surface Area: 90.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds