chempirical

Quinoline N-oxide

C9H7NOCAS 1613-37-2145.16 g/mol

Open in Covalent MOL file
O−N+

Properties

Molecular formula
C9H7NO
Molar mass
145.16 g/mol
Exact mass
145.0528 Da
Melting point
201–202.5 °C
Boiling point
155–160 °C (at 3 Torr)
logP
1.47Crippen estimate
Polar surface area
26.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1613-37-2
SMILES
[O-][n+]1cccc2ccccc21
InChIKey
GIIWGCBLYNDKBO-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Quinoline, 1-oxide
  • Quinoline oxide
  • 1-Oxidoquinolin-1-ium

Work with Quinoline 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

8-Hydroxyquinoline N-oxide1127-45-345 % similar 2-Mercaptopyridine N-oxide1121-31-943 % similar 2-Hydroxypyridine N-oxide13161-30-343 % similar 2-Chloropyridine N-oxide2402-95-143 % similar Dipyrithione3696-28-443 % similar 2-Methylpyridine 1-oxide931-19-143 % similar 2,3-Dimethylpyridine N-oxide22710-07-240 % similar 4-Nitroquinoline 1-oxide56-57-540 % similar

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

Same formula

Indole-4-carboxaldehyde1074-86-8 Indole-7-carboxaldehyde1074-88-0 Indole-5-carboxaldehyde1196-69-6 Indole-6-carboxaldehyde1196-70-9 Quinolinol1321-40-0 4-Acetylbenzonitrile1443-80-7 8-Hydroxyquinoline148-24-3 Isoquinoline N-oxide1532-72-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook