copper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate)

C34H24CuN2O4 — CID 139042208

IUPACcopper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate)
SMILES[Cu+2].[O-]c1cccc2ccc(/C=C/c3ccccc3O)nc12.[O-]c1cccc2ccc(/C=C/c3ccccc3O)nc12
InChIInChI=1S/2C17H13NO2.Cu/c2*19-15-6-2-1-4-12(15)8-10-14-11-9-13-5-3-7-16(20)17(13)18-14;/h2*1-11,19-20H;/q;;+2/p-2/b2*10-8+;
InChIKeyNIEUBKXQEHURCO-VWIRMOBDSA-L
MW588.12 g/mol
LogP6.37
Rot. Bonds4

About copper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate)

copper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate) (PubChem CID 139042208) has the molecular formula C34H24CuN2O4 and a molecular weight of 588.12 g/mol. Its IUPAC name is copper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate).

Molecular Properties

Compound Namecopper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate)
PubChem CID139042208
Molecular FormulaC34H24CuN2O4
Molecular Weight588.12 g/mol
Exact Mass587.10
IUPAC Namecopper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate)
SMILES[Cu+2].[O-]c1cccc2ccc(/C=C/c3ccccc3O)nc12.[O-]c1cccc2ccc(/C=C/c3ccccc3O)nc12
InChIInChI=1S/2C17H13NO2.Cu/c2*19-15-6-2-1-4-12(15)8-10-14-11-9-13-5-3-7-16(20)17(13)18-14;/h2*1-11,19-20H;/q;;+2/p-2/b2*10-8+;
InChIKeyNIEUBKXQEHURCO-VWIRMOBDSA-L
XLogP6.37
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.12
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Cunilate
CID 56840841
2-[(E)-2-(3-hydroxyphenyl)ethenyl]quinolin-8-ol
CID 5837141
2-(4-Hydroxystyryl)quinolin-8-ol
CID 135500760
4-Methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-6-ol
CID 44366636
2-Styrylquinolin-8-ol
CID 6261023
Lithium tetra(2-methyl-8-hydroxyquinolinato)boron
CID 23714786
2,2'-(Ethane-1,2-diyl)di(quinolin-8-ol)
CID 15456008
2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinolin-8-ol
CID 135648732
2-[(E)-2-(8-hydroxy-2-quinolyl)vinyl]quinolin-8-ol
CID 135493458
Copper quinolate
CID 4403158
2-(1H-indol-2-yl)quinolin-8-ol
CID 145962652
2-[(E)-[(E)-(8-hydroxy-2-quinolyl)methylenehydrazono]methyl]quinolin-8-ol
CID 135472364

Frequently Asked Questions

What is the IUPAC name of copper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate)?
The IUPAC name of copper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate) (CID 139042208) is copper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate).
What is the SMILES notation for copper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate)?
The canonical SMILES for copper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate) is [Cu+2].[O-]c1cccc2ccc(/C=C/c3ccccc3O)nc12.[O-]c1cccc2ccc(/C=C/c3ccccc3O)nc12.
What is the InChIKey of copper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate)?
The InChIKey is NIEUBKXQEHURCO-VWIRMOBDSA-L. The full InChI is InChI=1S/2C17H13NO2.Cu/c2*19-15-6-2-1-4-12(15)8-10-14-11-9-13-5-3-7-16(20)17(13)18-14;/h2*1-11,19-20H;/q;;+2/p-2/b2*10-8+;.
What are the key properties of copper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate)?
copper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate) has a molecular weight of 588.12 g/mol, XLogP of 6.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinolin-8-olate) is sourced from PubChem (CID 139042208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).