Cas no 79689-45-5 (2,4(1H,3H)-Quinazolinedione, 6-ethyl-)

2,4(1H,3H)-Quinazolinedione, 6-ethyl- structure
79689-45-5 structure
Product Name:2,4(1H,3H)-Quinazolinedione, 6-ethyl-
CAS No:79689-45-5
MF:C10H10N2O2
MW:190.198602199554
CID:532391
PubChem ID:13060514
Update Time:2025-04-19

2,4(1H,3H)-Quinazolinedione, 6-ethyl- Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Quinazolinedione, 6-ethyl-
    • 6-ethyl-1H-quinazoline-2,4-dione
    • DTXSID00516752
    • 79689-45-5
    • 6-Ethylquinazoline-2,4(1H,3H)-dione
    • SCHEMBL2056368
    • 6-ethyl-1H,3H-quinazoline-2,4-dione
    • 6-ethyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
    • HJHUPJNSRCEFLZ-UHFFFAOYSA-N
    • 6-Ethylquinazoline-2,4-diol
    • Inchi: 1S/C10H10N2O2/c1-2-6-3-4-8-7(5-6)9(13)12-10(14)11-8/h3-5H,2H2,1H3,(H2,11,12,13,14)
    • InChI Key: HJHUPJNSRCEFLZ-UHFFFAOYSA-N
    • SMILES: O=C1C2C=C(C=CC=2NC(N1)=O)CC

Computed Properties

  • Exact Mass: 190.074227566g/mol
  • Monoisotopic Mass: 190.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 265
  • 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: 1
  • Topological Polar Surface Area: 58.2?2
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