chempirical

7-Fluoroquinazolin-4(3H)-one

C8H5FN2OCAS 16499-57-3164.14 g/mol

Open in Covalent MOL file
OHNNF
Aryl halidePhenol

Properties

Molecular formula
C8H5FN2O
Molar mass
164.14 g/mol
Exact mass
164.0386 Da
Melting point
221 °C
logP
1.47Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
16499-57-3
SMILES
Oc1ncnc2cc(F)ccc12
InChIKey
KCORZHJVTZIZFD-UHFFFAOYSA-N
InChI
InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)

Weigh it out

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

Names and synonyms

6 names
  • 4(3H)-Quinazolinone, 7-fluoro-
  • 4(1H)-Quinazolinone, 7-fluoro-
  • 7-Fluoro-4(3H)-quinazolinone
  • 7-Fluoro-3,4-dihydroquinazolin-4-one
  • 7-Fluoro-3H-quinazolin-4-one
  • 7-Fluoroquinazolin-4-ol

Work with 7-Fluoroquinazolin-4(3H)-one

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 5,7-Difluoro-4(3H)-quinazolinone379228-58-753 % similar 6-Iodo-4(3H)-quinazolinone16064-08-746 % similar 5-Fluoro-6-hydroxy-4(3H)-pyrimidinone106615-61-642 % 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 7-Chloro-6-nitro-4(3H)-quinazolinone53449-14-237 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook