4K2

quinolin-8-yl piperidine-1-carboxylate

Created:	2015-03-25
Last modified:	2015-09-16

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1 entries where 4K2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	11

2D diagram of 4K2

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Chemical Component Summary
Name	quinolin-8-yl piperidine-1-carboxylate
Systematic Name (OpenEye OEToolkits)	quinolin-8-yl piperidine-1-carboxylate
Formula	C₁₅ H₁₆ N₂ O₂
Molecular Weight	256.3
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2cc1cccnc1c(c2)OC(=O)N3CCCCC3
SMILES	CACTVS	3.385	O=C(Oc1cccc2cccnc12)N3CCCCC3
SMILES	OpenEye OEToolkits	1.9.2	c1cc2cccnc2c(c1)OC(=O)N3CCCCC3
Canonical SMILES	CACTVS	3.385	O=C(Oc1cccc2cccnc12)N3CCCCC3
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2cccnc2c(c1)OC(=O)N3CCCCC3
InChI	InChI	1.03	InChI=1S/C15H16N2O2/c18-15(17-10-2-1-3-11-17)19-13-8-4-6-12-7-5-9-16-14(12)13/h4-9H,1-3,10-11H2
InChIKey	InChI	1.03	NMAHWWYZVAQAMR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	713309

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