Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000391

Phytochemical name: 7-Hydroxyquinoline

Synonymous chemical names:
7-hydroxyquinoline, 7-Hydroxyquinoline

External chemical identifiers:
CID:CID_135426866, ChEMBL:CHEMBL1608633, ChEBI:CHEBI:48980, ZINC:ZINC000015924560, FDASRS:D2G6YUK7ZJ, SureChEMBL:SCHEMBL115677, Molport-002-344-010

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Chemical structure information

SMILES:
Oc1ccc2c(c1)nccc2

InChI:
InChI=1S/C9H7NO/c11-8-4-3-7-2-1-5-10-9(7)6-8/h1-6,11H

InChIKey:
XCRPPAPDRUBKRJ-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)nccc6

Functional groups:
cO, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2ncccc2c1

Scaffold Graph/Node level:
C1CCC2NCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids, Anthranilic acid alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: -0.162

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Chemical structure download