Summary

IMPPAT Phytochemical identifier: IMPHY015303

Phytochemical name: 3-(2,6-Dimethoxyphenyl)-2-methyl-4(3H)-quinazolinone

Synonymous chemical names:
3-(2,6-dimethoxyphenyl)-2-methyl-4(3h)-quinazolinone

External chemical identifiers:
CID:626529, SureChEMBL:SCHEMBL1962867

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Chemical structure information

SMILES:
COc1cccc(c1n1c(C)nc2c(c1=O)cccc2)OC

InChI:
InChI=1S/C17H16N2O3/c1-11-18-13-8-5-4-7-12(13)17(20)19(11)16-14(21-2)9-6-10-15(16)22-3/h4-10H,1-3H3

InChIKey:
NYWYOMASDTXBQG-UHFFFAOYSA-N

DeepSMILES:
COcccccc6ncC)nccc6=O))cccc6))))))))))OC

Functional groups:
c-n(c)c, c=O, cOC, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2ncn1-c1ccccc1

Scaffold Graph/Node level:
OC1C2CCCCC2NCN1C1CCCCC1

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

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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: -0.695

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Chemical structure download