chempirical

6-Methoxy-8-nitroquinoline

C10H8N2O3CAS 85-81-4204.19 g/mol

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Properties

Molecular formula
C10H8N2O3
Molar mass
204.19 g/mol
Exact mass
204.0535 Da
Melting point
159 °C
logP
2.15Crippen estimate
Polar surface area
65.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
85-81-4
SMILES
COc1cc([N+](=O)[O-])c2ncccc2c1
InChIKey
MIMUSZHMZBJBPO-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O3/c1-15-8-5-7-3-2-4-11-10(7)9(6-8)12(13)14/h2-6H,1H3

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Names and synonyms

3 names
  • Quinoline, 6-methoxy-8-nitro-
  • 8-Nitro-6-methoxyquinoline
  • NSC 1883

Reactions

Work with 6-Methoxy-8-nitroquinoline

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

8-Nitroquinoline607-35-259 % similar 5-Nitro-1,10-phenanthroline4199-88-657 % similar 6-Methoxy-8-aminoquinoline90-52-856 % similar 3-Methoxy-2-nitropyridine20265-37-652 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-450 % similar 4-Methoxy-1-methyl-2-nitrobenzene17484-36-549 % similar 4-Methoxy-2-nitroaniline96-96-849 % similar 1-Chloro-4-methoxy-2-nitrobenzene10298-80-348 % similar

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

Same formula

1-Phenyl-3-carboxy-5-pyrazolone119-18-6 Tyrphostin A46122520-85-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook