copper bis(2-carboxyquinolin-8-olate)

C20H12CuN2O6 — CID 54720975

IUPACcopper bis(2-carboxyquinolin-8-olate)
SMILESO=C(O)c1ccc2cccc([O-])c2n1.O=C(O)c1ccc2cccc([O-])c2n1.[Cu+2]
InChIInChI=1S/2C10H7NO3.Cu/c2*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;/h2*1-5,12H,(H,13,14);/q;;+2/p-2
InChIKeyRQBCOKZWUQNLPR-UHFFFAOYSA-L
MW439.87 g/mol
LogP2.01
Rot. Bonds2

About copper bis(2-carboxyquinolin-8-olate)

copper bis(2-carboxyquinolin-8-olate) (PubChem CID 54720975) has the molecular formula C20H12CuN2O6 and a molecular weight of 439.87 g/mol. Its IUPAC name is copper bis(2-carboxyquinolin-8-olate).

Molecular Properties

Compound Namecopper bis(2-carboxyquinolin-8-olate)
PubChem CID54720975
Molecular FormulaC20H12CuN2O6
Molecular Weight439.87 g/mol
Exact Mass439.00
IUPAC Namecopper bis(2-carboxyquinolin-8-olate)
SMILESO=C(O)c1ccc2cccc([O-])c2n1.O=C(O)c1ccc2cccc([O-])c2n1.[Cu+2]
InChIInChI=1S/2C10H7NO3.Cu/c2*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;/h2*1-5,12H,(H,13,14);/q;;+2/p-2
InChIKeyRQBCOKZWUQNLPR-UHFFFAOYSA-L
XLogP2.01
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.87
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of copper bis(2-carboxyquinolin-8-olate)?
The IUPAC name of copper bis(2-carboxyquinolin-8-olate) (CID 54720975) is copper bis(2-carboxyquinolin-8-olate).
What is the SMILES notation for copper bis(2-carboxyquinolin-8-olate)?
The canonical SMILES for copper bis(2-carboxyquinolin-8-olate) is O=C(O)c1ccc2cccc([O-])c2n1.O=C(O)c1ccc2cccc([O-])c2n1.[Cu+2].
What is the InChIKey of copper bis(2-carboxyquinolin-8-olate)?
The InChIKey is RQBCOKZWUQNLPR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H7NO3.Cu/c2*12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;/h2*1-5,12H,(H,13,14);/q;;+2/p-2.
What are the key properties of copper bis(2-carboxyquinolin-8-olate)?
copper bis(2-carboxyquinolin-8-olate) has a molecular weight of 439.87 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-carboxyquinolin-8-olate) is sourced from PubChem (CID 54720975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).