chempirical

Quinoline N-oxide hydrate

C9H9NO2CAS 64201-64-5163.18 g/mol

Open in Covalent MOL file
N+O−H2O

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
logP
0.65Crippen estimate
Polar surface area
58.4 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
64201-64-5
SMILES
C1=CC=C2C(=C1)C=CC=[N+]2[O-].O
InChIKey
CUSWDTBBCIXCRB-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO.H2O/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H;1H2

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Names and synonyms

1 names
  • Quinoline, 1-oxide, monohydrate

Work with Quinoline N-oxide hydrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Quinoline N-oxide1613-37-2Anhydrous

Similar compounds

3-Methylquinoline N-oxide1873-55-844 % similar 8-Hydroxyquinoline N-oxide1127-45-341 % similar 2-Mercaptopyridine N-oxide1121-31-939 % similar 2-Hydroxypyridine N-oxide13161-30-339 % similar 2-Chloropyridine N-oxide2402-95-139 % similar Dipyrithione3696-28-439 % similar 2-Methylpyridine 1-oxide931-19-139 % similar 4-Nitroquinoline 1-oxide56-57-537 % similar

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

Same formula

2,6-Diacetylpyridine1129-30-2 1-Phenyl-1,2-propanedione 2-oxime119-51-7 4-Acetamidobenzaldehyde122-85-0 (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone132127-34-5 2-Hydroxy-7,8-dihydro-5(6H)-quinolinone15450-69-8 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7

Elsewhere

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