chempirical

3-Methylquinoline N-oxide

C10H9NOCAS 1873-55-8159.19 g/mol

Open in Covalent MOL file
N+O−

Properties

Molecular formula
C10H9NO
Molar mass
159.19 g/mol
Exact mass
159.0684 Da
logP
1.78Crippen estimate
Polar surface area
26.9 Ų
H-bond donors / acceptors
0 / 1
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
1873-55-8
SMILES
CC1=CC2=CC=CC=C2[N+](=C1)[O-]
InChIKey
CBGUMTBCWWMBRV-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2-7H,1H3

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Work with 3-Methylquinoline N-oxide

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

Quinoline N-oxide1613-37-248 % similar Quinoline N-oxide hydrate64201-64-544 % similar 2,3,5-Trimethylpyridine 1-oxide74409-42-044 % similar 2-Methylnaphthalene91-57-642 % similar 1,3-Dimethylnaphthalene575-41-737 % similar 3-Methylquinoline612-58-836 % similar 2-Methylpyridine 1-oxide931-19-135 % similar 3-Methylpyridine N-oxide1003-73-234 % similar

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

Same formula

6-Quinolinemethanol100516-88-9 8-Amino-2-naphthol118-46-7 2-Quinolinemethanol1780-17-2 1-Methylindole-3-carboxaldehyde19012-03-4 Indole-3-acetaldehyde2591-98-2 1-Isoquinolinemethanol27311-63-3 1-Amino-2-naphthol2834-92-6 4-Methoxycinnamonitrile28446-68-6

Elsewhere

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