JLO

(2E,4E)-3-methyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal

Created:2018-01-24
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count43
Aromatic Bond Count6
2D diagram of JLO

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Chemical Component Summary

Name(2E,4E)-3-methyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal
Systematic Name (OpenEye OEToolkits)(2~{E},4~{E})-5-(1-azatricyclo[7.3.1.0^{5,13}]trideca-5(13),6,8-trien-7-yl)-3-methyl-penta-2,4-dienal
FormulaC18 H21 N O
Molecular Weight267.365
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c13cc(cc2c1N(CCC2)CCC3)[C@H]=C/C(C)=C/C=O
SMILESCACTVS3.385CC(=CC=O)C=Cc1cc2CCCN3CCCc(c1)c23
SMILESOpenEye OEToolkits2.0.6CC(=CC=O)C=Cc1cc2c3c(c1)CCCN3CCC2
Canonical SMILESCACTVS3.385 CC(=C/C=O)\C=C\c1cc2CCCN3CCCc(c1)c23
Canonical SMILESOpenEye OEToolkits2.0.6 C/C(=C\C=O)/C=C/c1cc2c3c(c1)CCCN3CCC2
InChIInChI1.03 InChI=1S/C18H21NO/c1-14(8-11-20)6-7-15-12-16-4-2-9-19-10-3-5-17(13-15)18(16)19/h6-8,11-13H,2-5,9-10H2,1H3/b7-6+,14-8+
InChIKeyInChI1.03 LJFLJZQWTCHPOI-MDVYSFJGSA-N

Related Resource References

Resource NameReference
PubChem 137349599