Summary

IMPPAT Phytochemical identifier: IMPHY012631

Phytochemical name: 2-(Chloromethyl)-2,3-dihydro-4(1H)-quinolinone

Synonymous chemical names:
2-chloromethyl)-2,3-dihydro-4(1h)-quinolinone

External chemical identifiers:
CID:589579

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Chemical structure information

SMILES:
ClCC1CC(=O)c2c(N1)cccc2

InChI:
InChI=1S/C10H10ClNO/c11-6-7-5-10(13)8-3-1-2-4-9(8)12-7/h1-4,7,12H,5-6H2

InChIKey:
XQWCPANZPKIATM-UHFFFAOYSA-N

DeepSMILES:
ClCCCC=O)ccN6)cccc6

Functional groups:
CCl, cC(C)=O, cNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCNc2ccccc21

Scaffold Graph/Node level:
OC1CCNC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Quinolones and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: 0.226

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Chemical structure download