Summary

IMPPAT Phytochemical identifier: IMPHY010092

Phytochemical name: 1-Methyl-4(1H)-quinolinimine

Synonymous chemical names:
echinopsidine

External chemical identifiers:
CID:3083764, ChEMBL:CHEMBL3276569, ZINC:ZINC000135843727, SureChEMBL:SCHEMBL7797520

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Chemical structure information

SMILES:
Cn1ccc(=N)c2c1cccc2

InChI:
InChI=1S/C10H10N2/c1-12-7-6-9(11)8-4-2-3-5-10(8)12/h2-7,11H,1H3/b11-9+

InChIKey:
AZHUOPNKXMFIAA-PKNBQFBNSA-N

DeepSMILES:
Cnccc=N)cc6cccc6

Functional groups:
c=N, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
N=c1cc[nH]c2ccccc12

Scaffold Graph/Node level:
NC1CCNC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Hydroquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: -0.259

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Chemical structure download