6VD

2-ETHYL-4(1H)-QUINOLINONE

Created:	2016-05-04
Last modified:	2016-08-03

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1 entries where 6VD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	11

2D diagram of 6VD

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Chemical Component Summary
Name	2-ETHYL-4(1H)-QUINOLINONE
Systematic Name (OpenEye OEToolkits)	2-ethylquinolin-4-ol
Formula	C₁₁ H₁₁ N O
Molecular Weight	173.211
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCc1cc(O)c2ccccc2n1
SMILES	OpenEye OEToolkits	1.7.6	CCc1cc(c2ccccc2n1)O
Canonical SMILES	CACTVS	3.385	CCc1cc(O)c2ccccc2n1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCc1cc(c2ccccc2n1)O
InChI	InChI	1.03	InChI=1S/C11H11NO/c1-2-8-7-11(13)9-5-3-4-6-10(9)12-8/h3-7H,2H2,1H3,(H,12,13)
InChIKey	InChI	1.03	YBKUKKHOCTXYGB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10419657

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