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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1 entries where JLO is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	6

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
Formula	C₁₈ H₂₁ N O
Molecular Weight	267.365
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c13cc(cc2c1N(CCC2)CCC3)[C@H]=C/C(C)=C/C=O
SMILES	CACTVS	3.385	CC(=CC=O)C=Cc1cc2CCCN3CCCc(c1)c23
SMILES	OpenEye OEToolkits	2.0.6	CC(=CC=O)C=Cc1cc2c3c(c1)CCCN3CCC2
Canonical SMILES	CACTVS	3.385	CC(=C/C=O)\C=C\c1cc2CCCN3CCCc(c1)c23
Canonical SMILES	OpenEye OEToolkits	2.0.6	C/C(=C\C=O)/C=C/c1cc2c3c(c1)CCCN3CCC2
InChI	InChI	1.03	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+
InChIKey	InChI	1.03	LJFLJZQWTCHPOI-MDVYSFJGSA-N

Related Resource References

Resource Name	Reference
PubChem	137349599

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