copper;quinolin-8-ol;diacetate

C13H13CuNO5 — CID 161290532

IUPACcopper;quinolin-8-ol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Oc1cccc2cccnc12.[Cu+2]
InChIInChI=1S/C9H7NO.2C2H4O2.Cu/c11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-2(3)4;/h1-6,11H;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyVGHADIGRPRMCBR-UHFFFAOYSA-L
MW326.80 g/mol
LogP-0.55
Rot. Bonds

About copper;quinolin-8-ol;diacetate

copper;quinolin-8-ol;diacetate (PubChem CID 161290532) has the molecular formula C13H13CuNO5 and a molecular weight of 326.80 g/mol. Its IUPAC name is copper;quinolin-8-ol;diacetate.

Molecular Properties

Compound Namecopper;quinolin-8-ol;diacetate
PubChem CID161290532
Molecular FormulaC13H13CuNO5
Molecular Weight326.80 g/mol
Exact Mass326.01
IUPAC Namecopper;quinolin-8-ol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Oc1cccc2cccnc12.[Cu+2]
InChIInChI=1S/C9H7NO.2C2H4O2.Cu/c11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-2(3)4;/h1-6,11H;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyVGHADIGRPRMCBR-UHFFFAOYSA-L
XLogP-0.55
TPSA113.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dipotassium;quinolin-8-ol;carbonate
CID 174968438
acetic acid;bis(palladium);bis(quinolin-8-ol)
CID 171726767
methanol;quinolin-8-ol
CID 161490698
quinolin-8-ol;yttrium
CID 174635627
CID 54604144
CID 54604144
oxozinc;quinolin-8-ol
CID 174943156
CID 70016201
CID 70016201
zinc quinolin-8-ol
CID 22057723
CID 6381061
CID 6381061
CID 87330016
CID 87330016
dimethyltin;bis(quinolin-8-ol)
CID 50910182
CID 174914731
CID 174914731

Frequently Asked Questions

What is the IUPAC name of copper;quinolin-8-ol;diacetate?
The IUPAC name of copper;quinolin-8-ol;diacetate (CID 161290532) is copper;quinolin-8-ol;diacetate.
What is the SMILES notation for copper;quinolin-8-ol;diacetate?
The canonical SMILES for copper;quinolin-8-ol;diacetate is CC(=O)[O-].CC(=O)[O-].Oc1cccc2cccnc12.[Cu+2].
What is the InChIKey of copper;quinolin-8-ol;diacetate?
The InChIKey is VGHADIGRPRMCBR-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7NO.2C2H4O2.Cu/c11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-2(3)4;/h1-6,11H;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of copper;quinolin-8-ol;diacetate?
copper;quinolin-8-ol;diacetate has a molecular weight of 326.80 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;quinolin-8-ol;diacetate is sourced from PubChem (CID 161290532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).