HQD

3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE

Created:	2009-05-20
Last modified:	2011-06-04

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3 entries where HQD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of HQD

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Chemical Component Summary
Name	3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE
Systematic Name (OpenEye OEToolkits)	3-hydroxy-2-methyl-1H-quinolin-4-one
Formula	C₁₀ H₉ N O₂
Molecular Weight	175.184
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2c1c(cccc1)NC(=C2O)C
SMILES	CACTVS	3.352	CC1=C(O)C(=O)c2ccccc2N1
SMILES	OpenEye OEToolkits	1.6.1	CC1=C(C(=O)c2ccccc2N1)O
Canonical SMILES	CACTVS	3.352	CC1=C(O)C(=O)c2ccccc2N1
Canonical SMILES	OpenEye OEToolkits	1.6.1	CC1=C(C(=O)c2ccccc2N1)O
InChI	InChI	1.03	InChI=1S/C10H9NO2/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6/h2-5,12H,1H3,(H,11,13)
InChIKey	InChI	1.03	FSCXZVPPDJYLDD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	440982, 5280921
ChEBI	CHEBI:29216, CHEBI:1215

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