Summary

IMPPAT Phytochemical identifier: IMPHY017917

Phytochemical name: Dimethylquinoline

Synonymous chemical names:
dimethylquinoline

Chemical structure information

SMILES:
Cc1cc2ccccc2nc1C

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

InChIKey:
FBOFHVFMPNNIKN-UHFFFAOYSA-N

DeepSMILES:
Ccccccccc6nc%10C

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: Anthranilic acid alkaloids

NP Classifier Class: Quinazoline alkaloids

NP-Likeness score: -0.956

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Chemical structure download