Cas no 16353-27-8 (6-Iodo-1H-quinazoline-2,4-dione)

6-Iodo-1H-quinazoline-2,4-dione is a halogenated quinazoline derivative with significant utility in organic synthesis and pharmaceutical research. The presence of the iodine substituent enhances its reactivity, making it a valuable intermediate for cross-coupling reactions, such as Suzuki or Sonogashira couplings, to construct more complex heterocyclic frameworks. Its quinazoline-2,4-dione core is a privileged scaffold in medicinal chemistry, often associated with bioactive compounds. This compound is particularly useful for the development of novel therapeutic agents due to its ability to undergo selective functionalization. High purity and stability under standard storage conditions further contribute to its reliability in research applications.
6-Iodo-1H-quinazoline-2,4-dione structure
16353-27-8 structure
Product Name:6-Iodo-1H-quinazoline-2,4-dione
CAS No:16353-27-8
MF:C8H5IN2O2
MW:288.041973829269
MDL:MFCD09029814
CID:121603
PubChem ID:11380668
Update Time:2025-10-05

6-Iodo-1H-quinazoline-2,4-dione Chemical and Physical Properties

Names and Identifiers

    • 6-Iodoquinazoline-2,4(1H,3H)-dione
    • 2,4(1H,3H)-Quinazolinedione,6-iodo-
    • 6-iodo-1H-quinazoline-2,4-dione
    • 6-iodo-quinazoline-2,4-diol
    • 6-iodoquinazolin-2,4(1H,3H)-dione
    • 6-iodoquinazolin-2,4-dione
    • 6-iodoquinazoline-2,4-dione
    • 6-iodoquinazolinedione
    • AG-E-13392
    • CTK4D1572
    • SureCN3666779
    • SureCN3761274
    • VT1417
    • 6-Iodoquinazoline-2,4-diol
    • NBSMJLABFCDYFQ-UHFFFAOYSA-N
    • 2,4(1H,3H)-Quinazolinedione, 6-iodo-
    • 6-Iodo-2,4(1H,3H)-quinazolinedione
    • AC-17768
    • AKOS015962671
    • CS-0060656
    • 6-iodo-1,2,3,4-tetrahydroquinazoline-2,4-dione
    • SCHEMBL3666779
    • DTXSID70464155
    • MFCD09029814
    • AS-62521
    • 16353-27-8
    • SCHEMBL20680521
    • DB-350532
    • 4-hydroxy-6-iodo-3H-quinazolin-2-one
    • 6-Iodo-1H-quinazoline-2,4-dione
    • MDL: MFCD09029814
    • Inchi: 1S/C8H5IN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)
    • InChI Key: NBSMJLABFCDYFQ-UHFFFAOYSA-N
    • SMILES: IC1C=CC2=C(C=1)C(NC(N2)=O)=O

Computed Properties

  • Exact Mass: 287.93915
  • Monoisotopic Mass: 287.93957g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 257
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 58.2

Experimental Properties

  • Density: 2.008
  • Refractive Index: 1.671
  • PSA: 58.2

6-Iodo-1H-quinazoline-2,4-dione Pricemore >>

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abcr
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6-Iodo-1H-quinazoline-2,4-dione; .
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