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Molecule record

4-nitroquinoline

C9H6N2O2

174.16 g/mol

Loading structure

Molecular properties

Formula
C9H6N2O2
Molar mass
174.16 g·mol−1
Exact mass
174.0429 Da
8
PubChem CID
77341

Functional groups

Aromatic ring
Nitro compound

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 3741-15-9
  • 861-686-2
  • AKOS006278191
  • BRN 0135172
  • CCRIS 1208
  • CS-0451782
  • D47582T77A
  • DAA74115
Show all 24 synonyms
  • DB-081643
  • DTXCID40113340
  • DTXSID50190849
  • EN300-103580
  • F773388
  • H63788
  • InChI=1/C9H6N2O2/c12-11(13)9-5-6-10-8-4-2-1-3-7(8)9/h1-6
  • MFCD01685427
  • Nitroquinoline, 4-
  • Quinoline, 4-nitro-
  • RefChem:872003
  • SB67895
  • SCHEMBL28348325
  • SCHEMBL538895
  • SCHEMBL7972564
  • SCHEMBL8542857

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1ccnc2ccccc12
Isomeric SMILES
C1=CC=C2C(=C1)C(=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C9H6N2O2/c12-11(13)9-5-6-10-8-4-2-1-3-7(8)9/h1-6H
InChIKey
ZPVSFHWMXABGPU-UHFFFAOYSA-N
PubChem CID
77341

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-nitroquinoline; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-nitroquinoline; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record