chempirical

N-(3-Chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine

C14H7ClF2N4O2CAS 162012-67-1336.68 g/mol

Open in Covalent MOL file
HNNNN+OO−FClF
Aryl halideNitroSecondary amine

Properties

Molecular formula
C14H7ClF2N4O2
Molar mass
336.68 g/mol
Exact mass
336.0226 Da
logP
4.21Crippen estimate
Polar surface area
81.0 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Identifiers

CAS number
162012-67-1
SMILES
C1=CC(=C(C=C1NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])F)Cl)F
InChIKey
CJOJDNRJDBWZKM-UHFFFAOYSA-N
InChI
InChI=1S/C14H7ClF2N4O2/c15-9-3-7(1-2-10(9)16)20-14-8-4-13(21(22)23)11(17)5-12(8)18-6-19-14/h1-6H,(H,18,19,20)

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Names and synonyms

1 names
  • 4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitro-

Work with N-(3-Chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine

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

N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine179552-74-078 % similar 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol184475-71-654 % similar N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine314771-76-147 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-147 % similar Gefitinib184475-35-245 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-845 % similar 7-Chloro-6-nitro-4(3H)-quinazolinone53449-14-245 % similar 4-(3-Chloro-4-fluorophenylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazoline hydrochloride184475-55-644 % similar

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

Elsewhere

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