Summary

IMPPAT Phytochemical identifier: IMPHY016481

Phytochemical name: 7-Methoxy-2-methylquinoline-5,8-dione

Synonymous chemical names:
7-methoxy-2-mmethylquinoline-5,8-dione

External chemical identifiers:
CID:10655754, ChEMBL:CHEMBL388378, ZINC:ZINC000028642180, SureChEMBL:SCHEMBL8580396

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Chemical structure information

SMILES:
COC1=CC(=O)c2c(C1=O)nc(cc2)C

InChI:
InChI=1S/C11H9NO3/c1-6-3-4-7-8(13)5-9(15-2)11(14)10(7)12-6/h3-5H,1-2H3

InChIKey:
QNPULXSZXDVOJE-UHFFFAOYSA-N

DeepSMILES:
COC=CC=O)ccC6=O))nccc6))C

Functional groups:
COC1=CC(=O)ccC1=O, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)c2ncccc21

Scaffold Graph/Node level:
OC1CCC(O)C2NCCCC12

Scaffold Graph level:
CC1CCC(C)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Quinoline quinones

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: 0.985

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Chemical structure download