copper bis(5,7-dichloroquinolin-8-olate)

C18H8Cl4CuN2O2 — CID 154702738

IUPACcopper bis(5,7-dichloroquinolin-8-olate)
SMILES[Cu+2].[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/2C9H5Cl2NO.Cu/c2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h2*1-4,13H;/q;;+2/p-2
InChIKeyUXIIGKZEAFKBIP-UHFFFAOYSA-L
MW489.63 g/mol
LogP5.23
Rot. Bonds

About copper bis(5,7-dichloroquinolin-8-olate)

copper bis(5,7-dichloroquinolin-8-olate) (PubChem CID 154702738) has the molecular formula C18H8Cl4CuN2O2 and a molecular weight of 489.63 g/mol. Its IUPAC name is copper bis(5,7-dichloroquinolin-8-olate).

Molecular Properties

Compound Namecopper bis(5,7-dichloroquinolin-8-olate)
PubChem CID154702738
Molecular FormulaC18H8Cl4CuN2O2
Molecular Weight489.63 g/mol
Exact Mass486.86
IUPAC Namecopper bis(5,7-dichloroquinolin-8-olate)
SMILES[Cu+2].[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/2C9H5Cl2NO.Cu/c2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h2*1-4,13H;/q;;+2/p-2
InChIKeyUXIIGKZEAFKBIP-UHFFFAOYSA-L
XLogP5.23
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.63
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of copper bis(5,7-dichloroquinolin-8-olate)?
The IUPAC name of copper bis(5,7-dichloroquinolin-8-olate) (CID 154702738) is copper bis(5,7-dichloroquinolin-8-olate).
What is the SMILES notation for copper bis(5,7-dichloroquinolin-8-olate)?
The canonical SMILES for copper bis(5,7-dichloroquinolin-8-olate) is [Cu+2].[O-]c1c(Cl)cc(Cl)c2cccnc12.[O-]c1c(Cl)cc(Cl)c2cccnc12.
What is the InChIKey of copper bis(5,7-dichloroquinolin-8-olate)?
The InChIKey is UXIIGKZEAFKBIP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H5Cl2NO.Cu/c2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h2*1-4,13H;/q;;+2/p-2.
What are the key properties of copper bis(5,7-dichloroquinolin-8-olate)?
copper bis(5,7-dichloroquinolin-8-olate) has a molecular weight of 489.63 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(5,7-dichloroquinolin-8-olate) is sourced from PubChem (CID 154702738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).