Summary

IMPPAT Phytochemical identifier: IMPHY008175

Phytochemical name: Quinazolinone

Synonymous chemical names:
quinazolinone

External chemical identifiers:
CID:63112

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Chemical structure information

SMILES:
O=c1nc[nH]c2c1cccc2

InChI:
InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)

InChIKey:
QMNUDYFKZYBWQX-UHFFFAOYSA-N

DeepSMILES:
O=cnc[nH]cc6cccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1nc[nH]c2ccccc12

Scaffold Graph/Node level:
OC1NCNC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazanaphthalenes

ClassyFire Subclass: Benzodiazines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Quinazoline alkaloids

NP-Likeness score: -0.738

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Chemical structure download