Summary

IMPPAT Phytochemical identifier: IMPHY003403

Phytochemical name: 4-Methoxy-1-methylquinolin-2-one

Synonymous chemical names:
4-methoxy-1-methyl-2-quinolone

External chemical identifiers:
CID:182073, ChEMBL:CHEMBL402069, ZINC:ZINC000003958177, SureChEMBL:SCHEMBL11379787, MolPort-002-045-014

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Chemical structure information

SMILES:
COc1cc(=O)n(c2c1cccc2)C

InChI:
InChI=1S/C11H11NO2/c1-12-9-6-4-3-5-8(9)10(14-2)7-11(12)13/h3-7H,1-2H3

InChIKey:
SPBLFONLHXBBQE-UHFFFAOYSA-N

DeepSMILES:
COccc=O)ncc6cccc6))))))C

Functional groups:
c=O, cOC, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccccc2[nH]1

Scaffold Graph/Node level:
OC1CCC2CCCCC2N1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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, Anthranilic acid alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: -0.364

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Chemical structure download