MQS

[(3S)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone

Created:	2013-02-01
Last modified:	2013-10-09

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1 entries where MQS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	11

2D diagram of MQS

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Chemical Component Summary
Name	[(3S)-3-methylpiperidin-1-yl](quinoxalin-6-yl)methanone
Systematic Name (OpenEye OEToolkits)	[(3S)-3-methylpiperidin-1-yl]-quinoxalin-6-yl-methanone
Formula	C₁₅ H₁₇ N₃ O
Molecular Weight	255.315
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c2cc1nccnc1cc2)N3CCCC(C)C3
SMILES	CACTVS	3.370	C[CH]1CCCN(C1)C(=O)c2ccc3nccnc3c2
SMILES	OpenEye OEToolkits	1.7.6	CC1CCCN(C1)C(=O)c2ccc3c(c2)nccn3
Canonical SMILES	CACTVS	3.370	C[C@H]1CCCN(C1)C(=O)c2ccc3nccnc3c2
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3
InChI	InChI	1.03	InChI=1S/C15H17N3O/c1-11-3-2-8-18(10-11)15(19)12-4-5-13-14(9-12)17-7-6-16-13/h4-7,9,11H,2-3,8,10H2,1H3/t11-/m0/s1
InChIKey	InChI	1.03	HFURVWIZXOIASJ-NSHDSACASA-N

Related Resource References

Resource Name	Reference
PubChem	71737827

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