chempirical

2-(Trifluoromethyl)-3,4-dihydroquinazolin-4-one

C9H5F3N2OCAS 26059-81-4214.15 g/mol

Open in Covalent MOL file
ONHNFFF
Alkyl halide

Properties

Molecular formula
C9H5F3N2O
Molar mass
214.15 g/mol
Exact mass
214.0354 Da
logP
1.94Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
26059-81-4
SMILES
C1=CC=C2C(=C1)C(=O)NC(=N2)C(F)(F)F
InChIKey
LOKVXDVFZJAQMR-UHFFFAOYSA-N
InChI
InChI=1S/C9H5F3N2O/c10-9(11,12)8-13-6-4-2-1-3-5(6)7(15)14-8/h1-4H,(H,13,14,15)

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Names and synonyms

1 names
  • 2-(Trifluoromethyl)-4(3H)-quinazolinone

Work with 2-(Trifluoromethyl)-3,4-dihydroquinazolin-4-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

2-(Trifluoromethyl)-1H-benzimidazole312-73-257 % similar Ethyl 4-quinazolone-2-carboxylate29113-33-542 % similar 4-Chloro-2-(trifluoromethyl)quinoline1701-24-240 % similar 4-(Trifluoromethyl)-2(1H)-quinolinone25199-84-240 % similar 5-Amino-2-(trifluoromethyl)benzimidazole3671-66-740 % similar 4-(Trifluoromethyl)-2-quinolinecarboxylic acid588702-67-438 % similar 2-(Trifluoromethyl)pyrimidine-4,6-diol672-47-938 % similar 2-Trifluoromethyl-pyrimidin-4-ol1546-80-138 % similar

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

Elsewhere

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