Summary

IMPPAT Phytochemical identifier: IMPHY016163

Phytochemical name: 2,2,4-Trimethyl-1,2-dihydroquinoline

Synonymous chemical names:
1,2-dihydro-2,2,4-trimethylquinoline

External chemical identifiers:
CID:8981, ChEMBL:CHEMBL294154, ZINC:ZINC000003874054, FDASRS:0553M374Q3, SureChEMBL:SCHEMBL44875, MolPort-000-873-486

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Chemical structure information

SMILES:
CC1=CC(C)(C)Nc2c1cccc2

InChI:
InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3

InChIKey:
ZNRLMGFXSPUZNR-UHFFFAOYSA-N

DeepSMILES:
CC=CCC)C)Ncc6cccc6

Functional groups:
cC(C)=CC, cNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2NC1

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

ClassyFire Subclass: Quinolones and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: 0.12

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Chemical structure download