Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011006

Phytochemical name: 2,5-Dimethylquinoline

Synonymous chemical names:
2,5-dimethyl-3-methylene-1,5-heptadiene

External chemical identifiers:
CID:CID_33962, ZINC:ZINC000002012349, SureChEMBL:SCHEMBL826491, MolPort-008-422-414

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Chemical structure information

SMILES:
Cc1ccc2c(n1)cccc2C

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

InChIKey:
HQMYTNVPZHJGDX-UHFFFAOYSA-N

DeepSMILES:
Ccccccn6)cccc6C

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-Likeness score: -1.087

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Chemical structure download