Summary

IMPPAT Phytochemical identifier: IMPHY001211

Phytochemical name: 4-Methylquinoline

Synonymous chemical names:
lepidine

External chemical identifiers:
CID:10285, ChEMBL:CHEMBL9734, ChEBI:48983, ZINC:ZINC000001666750, FDASRS:116169T3O8, SureChEMBL:SCHEMBL31559, MolPort-001-781-554

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Chemical structure information

SMILES:
Cc1ccnc2c1cccc2

InChI:
InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3

InChIKey:
MUDSDYNRBDKLGK-UHFFFAOYSA-N

DeepSMILES:
Ccccncc6cccc6

Functional groups:
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, Nicotinic acid alkaloids, Anthranilic acid alkaloids

NP Classifier Class: Pyridine alkaloids, Quinoline alkaloids

NP-Likeness score: -0.644

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Chemical structure download