4-Nitroquinoline 1-oxide

C₉H₆N₂O₃CAS 56-57-5190.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆N₂O₃
Molar mass: 190.16 g/mol
Exact mass: 190.0378 Da
Melting point: 154 °C
Water solubility: < 1 g/L (18.9 °C)
logP: 1.38Crippen estimate
Polar surface area: 70.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H350 May cause cancer92% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

56-57-5

SMILES

O=[N+]([O-])c1cc[n+]([O-])c2ccccc12

InChIKey

YHQDZJICGQWFHK-UHFFFAOYSA-N

InChI

InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H

Weigh it out

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Names and synonyms

6 names

Quinoline, 4-nitro-, 1-oxide
4-NQO
4-Nitroquinoline N-oxide
Nitrochin
4-Nitroquinoline oxide
NSC 19645

Work with 4-Nitroquinoline 1-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

1,4-Dinitronaphthalene6921-26-258 % similar 1,5-Dinitronaphthalene605-71-053 % similar 1-Nitronaphthalene86-57-751 % similar 2,3-Dimethyl-4-nitropyridine-N-oxide37699-43-751 % similar 1,2-Dinitrobenzene528-29-048 % similar 4-Nitro-1-naphthol605-62-947 % similar 1-Amino-4-nitronaphthalene776-34-147 % similar 1-Bromo-5-nitronaphthalene5328-76-745 % similar

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

Same formula

7-Nitro-1H-indole-3-carboxaldehyde10553-14-7 4-Nitrobenzoylacetonitrile3383-43-5 Nitroxoline4008-48-4 3-Nitro-4-quinolinol50332-66-6 5-Nitro-1H-indole-3-carbaldehyde6625-96-3

Elsewhere

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