Summary

IMPPAT Phytochemical identifier: IMPHY005848

Phytochemical name: Benzo(c)(2,7)naphthyridin-4(3H)-one

Synonymous chemical names:
perlolidine

External chemical identifiers:
CID:5748566, ChEMBL:CHEMBL4162200

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Chemical structure information

SMILES:
O=c1[nH]ccc2c1cnc1c2cccc1

InChI:
InChI=1S/C12H8N2O/c15-12-10-7-14-11-4-2-1-3-9(11)8(10)5-6-13-12/h1-7H,(H,13,15)

InChIKey:
ULIAUQBOGQCMQM-UHFFFAOYSA-N

DeepSMILES:
O=c[nH]cccc6cncc6cccc6

Functional groups:
c=O, c[nH]c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]ccc2c1cnc1ccccc12

Scaffold Graph/Node level:
OC1NCCC2C1CNC1CCCCC12

Scaffold Graph level:
CC1CCCC2C1CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazanaphthalenes

ClassyFire Subclass: Naphthyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Quinazoline alkaloids

NP-Likeness score: -0.392

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Chemical structure download