Molecular properties
- Formula
- C9H7N
- Molar mass
- 129.16 g·mol−1
- Exact mass
- 129.0578 Da
- 7
- 0
- 1
- 12.90 Ų
- 2 (PubChem computed XLogP3-AA descriptor)
- CAS
- 91-22-5
- PubChem CID
- 7047
Molecule record
QUINOLINE
C9H7N
129.16 g/mol
Interactions
- Polarity
- Often weakly polar or nonpolar unless other structural features dominate.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alkene
Aromatic ring
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 2 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Azanaphthalene
- 1-Benzazine
- 1-Benzine
- 2,3-Benzopyridine
- 91-22-5
- AI3-01241
- B 500
- B-500
Show all 21 synonyms
- Benzo[b]pyridine
- Benzopyridine
- CHEBI:17362
- Chinoleine
- Chinolin
- Chinoline
- DTXSID1021798
- E66400VT9R
- FEMA No. 3470
- Leucol
- Leukol
- Quinolin
- USAF EK-218
Structure identifiers
- Canonical SMILES
- C1=CC=C2C(=C1)C=CC=N2
- Isomeric SMILES
- C1=CC=C2C(=C1)C=CC=N2
- InChI
- InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
- InChIKey
- SMWDFEZZVXVKRB-UHFFFAOYSA-N
- PubChem CID
- 7047
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for QUINOLINE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for QUINOLINE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.