Summary

IMPPAT Phytochemical identifier: IMPHY017537

Phytochemical name: 4-Methoxy-3-[(quinolin-8-yloxy)methyl]benzaldehyde

Synonymous chemical names:
4-methoxy-3-(8-quinolinyloxy-methyl)benzaldehyde

External chemical identifiers:
CID:590877, ZINC:ZINC000002573201, MolPort-000-156-996

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Chemical structure information

SMILES:
COc1ccc(cc1COc1cccc2c1nccc2)C=O

InChI:
InChI=1S/C18H15NO3/c1-21-16-8-7-13(11-20)10-15(16)12-22-17-6-2-4-14-5-3-9-19-18(14)17/h2-11H,12H2,1H3

InChIKey:
KAIREKLWZOZJFY-UHFFFAOYSA-N

DeepSMILES:
COcccccc6COcccccc6nccc6))))))))))))))C=O

Functional groups:
cC=O, cOC, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(COc2cccc3cccnc23)cc1

Scaffold Graph/Node level:
C1CCC(COC2CCCC3CCCNC32)CC1

Scaffold Graph level:
C1CCC(CCC2CCCC3CCCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.666

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Chemical structure download