Quinoline
fo-9191a59baf9b1909
Identity
- Type
- Neutral molecule
- CAS
- 91-22-5
- EC
- 202-051-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
8- 1-Azanaphthalene
- 1-Benzazine
- benzo[b]pyridine
- Chinolin
- Leucol
- Leucoline
- Leukol
- Quinolin
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | SMWDFEZZVXVKRB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H |
| IUPAC name chemrof:IUPAC_name | Quinoline |
| Molecular formula chemrof:molecular_formula | C9H7N |
| Molecular mass chemrof:molecular_mass | 129.162 |
| Monoisotopic mass chemrof:monoisotopic_mass | 129.057849, 129.05785 |
| SMILES string chemrof:smiles_string | c1ccc2ncccc2c1 |
Known URLs
26Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=31177-31-8 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=91-22-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17362 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.865 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0071 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1021798 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB18050 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3396 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL14474 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:27201 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/E66400VT9R | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0033731 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.922E | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C06413 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C06413 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00026478 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46174 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=QUINOLINE | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7047 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2656 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020530 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16406213 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8070089 | enrich_references.chebi_xrefs |
| reaxys | reaxys:107477 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q408384 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Quinoline | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 72fcc46f-f264-40e6-bef6-becff0d52502 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 84a5b4f7-9579-4768-958b-dc03733595f5 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 55210852-7fef-495b-98af-c7a5da1efc33 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| c45168b6-3ed3-42a4-af6c-3f854bf0f694 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c3b9ae0f-d16a-480a-9f5e-c1c4c73c1521 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| f673aefe-4255-443c-8342-0f32662642c8 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 630a3356-937e-477a-95eb-3fca7e905ca5 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 91accd7d-037e-4a9d-895d-acfe75d772cc | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 06acf621-dbb3-43a0-9b27-caf658a56615 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| ca8f7e69-e00a-4286-aaf8-e82f0f3e523b | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 7c11e470-05b0-4129-917b-a38e4f16cccb | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| d7887715-22da-407d-9048-29700a136d52 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 49d9e70e-8a45-41da-a3af-2b7e5815849c | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works