copper bis(2-oxo-1H-quinolin-3-olate)

C18H12CuN2O4 — CID 67199859

IUPACcopper bis(2-oxo-1H-quinolin-3-olate)
SMILESO=c1[nH]c2ccccc2cc1[O-].O=c1[nH]c2ccccc2cc1[O-].[Cu+2]
InChIInChI=1S/2C9H7NO2.Cu/c2*11-8-5-6-3-1-2-4-7(6)10-9(8)12;/h2*1-5,11H,(H,10,12);/q;;+2/p-2
InChIKeyJGQPCMURQGXIRF-UHFFFAOYSA-L
MW383.85 g/mol
LogP1.20
Rot. Bonds

About copper bis(2-oxo-1H-quinolin-3-olate)

copper bis(2-oxo-1H-quinolin-3-olate) (PubChem CID 67199859) has the molecular formula C18H12CuN2O4 and a molecular weight of 383.85 g/mol. Its IUPAC name is copper bis(2-oxo-1H-quinolin-3-olate).

Molecular Properties

Compound Namecopper bis(2-oxo-1H-quinolin-3-olate)
PubChem CID67199859
Molecular FormulaC18H12CuN2O4
Molecular Weight383.85 g/mol
Exact Mass383.01
IUPAC Namecopper bis(2-oxo-1H-quinolin-3-olate)
SMILESO=c1[nH]c2ccccc2cc1[O-].O=c1[nH]c2ccccc2cc1[O-].[Cu+2]
InChIInChI=1S/2C9H7NO2.Cu/c2*11-8-5-6-3-1-2-4-7(6)10-9(8)12;/h2*1-5,11H,(H,10,12);/q;;+2/p-2
InChIKeyJGQPCMURQGXIRF-UHFFFAOYSA-L
XLogP1.20
TPSA111.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of copper bis(2-oxo-1H-quinolin-3-olate)?
The IUPAC name of copper bis(2-oxo-1H-quinolin-3-olate) (CID 67199859) is copper bis(2-oxo-1H-quinolin-3-olate).
What is the SMILES notation for copper bis(2-oxo-1H-quinolin-3-olate)?
The canonical SMILES for copper bis(2-oxo-1H-quinolin-3-olate) is O=c1[nH]c2ccccc2cc1[O-].O=c1[nH]c2ccccc2cc1[O-].[Cu+2].
What is the InChIKey of copper bis(2-oxo-1H-quinolin-3-olate)?
The InChIKey is JGQPCMURQGXIRF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7NO2.Cu/c2*11-8-5-6-3-1-2-4-7(6)10-9(8)12;/h2*1-5,11H,(H,10,12);/q;;+2/p-2.
What are the key properties of copper bis(2-oxo-1H-quinolin-3-olate)?
copper bis(2-oxo-1H-quinolin-3-olate) has a molecular weight of 383.85 g/mol, XLogP of 1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-oxo-1H-quinolin-3-olate) is sourced from PubChem (CID 67199859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).