chempirical

6-Iodo-4(3H)-quinazolinone

C8H5IN2OCAS 16064-08-7272.05 g/mol

Open in Covalent MOL file
OHNNI
Aryl halidePhenol

Properties

Molecular formula
C8H5IN2O
Molar mass
272.05 g/mol
Exact mass
271.9447 Da
Melting point
270–272 °C
logP
1.94Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
16064-08-7
SMILES
Oc1ncnc2ccc(I)cc12
InChIKey
PUGXMZKDRVGIHC-UHFFFAOYSA-N
InChI
InChI=1S/C8H5IN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 4(3H)-Quinazolinone, 6-iodo-
  • 4(1H)-Quinazolinone, 6-iodo-
  • 4-Quinazolinol, 6-iodo-
  • 6-Iodo-4-quinazolone
  • 6-Iodo-3,4-dihydroquinazolin-4-one
  • 6-Iodo-3H-quinazolin-4-one
  • 6-Iodoquinazolin-4-ol
  • 6-Iodoquinazolin-4-one
  • 6-Iodo-1H-quinazolin-4-one

Work with 6-Iodo-4(3H)-quinazolinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Quinazolinone491-36-153 % similar 7-Fluoroquinazolin-4(3H)-one16499-57-346 % similar 6-Hydroxy-7-methoxy-4(3H)-quinazolinone179688-52-941 % similar 6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one179688-29-040 % similar 7-Deazahypoxanthine3680-71-539 % similar 6-Iodoquinoline13327-31-638 % similar 7-Chloro-6-nitro-4(3H)-quinazolinone53449-14-237 % similar 1,5-Dihydro-1-phenyl-4H-pyrazolo[3,4-D]pyrimidin-4-one21314-17-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook