chempirical

4-Chloro-7-methoxy-6-nitroquinazoline

C9H6ClN3O3CAS 55496-69-0239.62 g/mol

Open in Covalent MOL file
ONNClN+OO−
Aryl halideEtherNitro

Properties

Molecular formula
C9H6ClN3O3
Molar mass
239.62 g/mol
Exact mass
239.0098 Da
logP
2.20Crippen estimate
Polar surface area
78.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Identifiers

CAS number
55496-69-0
SMILES
COc1cc2ncnc(Cl)c2cc1[N+](=O)[O-]
InChIKey
MJFJWOAETHEGGW-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClN3O3/c1-16-8-3-6-5(2-7(8)13(14)15)9(10)12-4-11-6/h2-4H,1H3

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Names and synonyms

1 names
  • Quinazoline, 4-chloro-7-methoxy-6-nitro-

Work with 4-Chloro-7-methoxy-6-nitroquinazoline

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

1-Chloro-2,5-dimethoxy-4-nitrobenzene6940-53-053 % similar 4-Chloro-2-methoxy-1-nitrobenzene6627-53-849 % similar 4-Chloro-1-methoxy-2-nitrobenzene89-21-449 % similar 2,5-Dimethoxy-4-nitrobenzenamine6313-37-748 % similar 7-Chloro-6-nitro-4(3H)-quinazolinone53449-14-247 % similar 4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline183322-18-146 % similar 2-Chloro-6-methoxy-3-nitropyridine38533-61-845 % similar 2,4-Dinitroanisole119-27-745 % similar

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

Elsewhere

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