RQX

2-amino-3-methoxy-6-methyl-5-[(2E)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione

Created:	2012-04-25
Last modified:	2012-04-25

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1 entries where RQX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	0

2D diagram of RQX

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Chemical Component Summary
Name	2-amino-3-methoxy-6-methyl-5-[(2E)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione
Systematic Name (OpenEye OEToolkits)	2-azanyl-3-methoxy-6-methyl-5-[(E)-3-methylhex-2-enyl]cyclohexa-2,5-diene-1,4-dione
Formula	C₁₅ H₂₁ N O₃
Molecular Weight	263.332
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C(=C(C(=O)C(=C1OC)N)C)C\C=C(/C)CCC
SMILES	CACTVS	3.370	CCCC(C)=CCC1=C(C)C(=O)C(=C(OC)C1=O)N
SMILES	OpenEye OEToolkits	1.7.6	CCCC(=CCC1=C(C(=O)C(=C(C1=O)OC)N)C)C
Canonical SMILES	CACTVS	3.370	CCCC(/C)=C/CC1=C(C)C(=O)C(=C(OC)C1=O)N
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCC/C(=C/CC1=C(C(=O)C(=C(C1=O)OC)N)C)/C
InChI	InChI	1.03	InChI=1S/C15H21NO3/c1-5-6-9(2)7-8-11-10(3)13(17)12(16)15(19-4)14(11)18/h7H,5-6,8,16H2,1-4H3/b9-7+
InChIKey	InChI	1.03	FKFYBWHBXHCWCD-VQHVLOKHSA-N

Related Resource References

Resource Name	Reference
PubChem	137349960

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.