Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018037

Phytochemical name: 5,8-Dimethylquinoline

Synonymous chemical names:
5,8-Dimethylquinoline

External chemical identifiers:
CID:CID_17502

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Chemical structure information

SMILES:
Cc1ccc(c2c1nccc2)C

InChI:
InChI=1S/C11H11N/c1-8-5-6-9(2)11-10(8)4-3-7-12-11/h3-7H,1-2H3

InChIKey:
VVLZEQKZPNOPNS-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6nccc6))))))C

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: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: -0.994

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Chemical structure download