chempirical

Afloqualone

C16H14FN3OCAS 56287-74-2283.31 g/mol

Open in Covalent MOL file
NFNNH2O
Alkyl halidePrimary amine

Properties

Molecular formula
C16H14FN3O
Molar mass
283.31 g/mol
Exact mass
283.1121 Da
Melting point
195–196 °C
logP
2.75Crippen estimate
Polar surface area
60.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
56287-74-2
SMILES
Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O
InChIKey
VDOSWXIDETXFET-UHFFFAOYSA-N
InChI
InChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • 4(3H)-Quinazolinone, 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)-
  • 6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)-4(3H)-quinazolinone
  • H 495
  • HQ 495
  • Arofuto
  • Aroft
  • 6-Amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one

Work with Afloqualone

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

Ic 87114371242-69-240 % similar 7-Amino-4-methyl-2-quinolinone19840-99-431 % similar 3,8-Diamino-6-phenylphenanthridine52009-64-031 % similar 4-Fluoro-3-methylaniline452-69-731 % similar 3-Methyl-1H-indazol-5-amine90764-90-230 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook