Summary

IMPPAT Phytochemical identifier: IMPHY007830

Phytochemical name: Quinazoline

Synonymous chemical names:
quinazoline, quinazolines

External chemical identifiers:
CID:9210, ChEMBL:CHEMBL301359, ChEBI:36621, ZINC:ZINC000000160344, FDASRS:UB9QUR18NL, SureChEMBL:SCHEMBL5920, MolPort-001-763-720

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Chemical structure information

SMILES:
c1ccc2c(c1)ncnc2

InChI:
InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H

InChIKey:
JWVCLYRUEFBMGU-UHFFFAOYSA-N

DeepSMILES:
cccccc6)ncnc6

Functional groups:
cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2ncncc2c1

Scaffold Graph/Node level:
C1CCC2NCNCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: -1.373

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Chemical structure download