Summary

IMPPAT Phytochemical identifier: IMPHY006597

Phytochemical name: 2-Methylquinoline

Synonymous chemical names:
2-methyl-quinoline, quinaldine

External chemical identifiers:
CID:7060, ChEMBL:CHEMBL194931, ChEBI:132813, ZINC:ZINC000001081286, FDASRS:DVG30M0M87, SureChEMBL:SCHEMBL19360, MolPort-001-783-872

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Chemical structure information

SMILES:
Cc1ccc2c(n1)cccc2

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

InChIKey:
SMUQFGGVLNAIOZ-UHFFFAOYSA-N

DeepSMILES:
Ccccccn6)cccc6

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: -1.06

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Chemical structure download