copper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride

C30H36Cl2CuN4O2 — CID 139173667

IUPACcopper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride
SMILES[Cl-].[Cl-].[Cu+2].[O-]c1c(C[NH+]2CCCCC2)ccc2cccnc12.[O-]c1c(C[NH+]2CCCCC2)ccc2cccnc12
InChIInChI=1S/2C15H18N2O.2ClH.Cu/c2*18-15-13(11-17-9-2-1-3-10-17)7-6-12-5-4-8-16-14(12)15;;;/h2*4-8,18H,1-3,9-11H2;2*1H;/q;;;;+2/p-2
InChIKeyYQGVHUSALUNZFY-UHFFFAOYSA-L
MW619.10 g/mol
LogP-4.24
Rot. Bonds4

About copper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride

copper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride (PubChem CID 139173667) has the molecular formula C30H36Cl2CuN4O2 and a molecular weight of 619.10 g/mol. Its IUPAC name is copper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride.

Molecular Properties

Compound Namecopper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride
PubChem CID139173667
Molecular FormulaC30H36Cl2CuN4O2
Molecular Weight619.10 g/mol
Exact Mass617.15
IUPAC Namecopper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride
SMILES[Cl-].[Cl-].[Cu+2].[O-]c1c(C[NH+]2CCCCC2)ccc2cccnc12.[O-]c1c(C[NH+]2CCCCC2)ccc2cccnc12
InChIInChI=1S/2C15H18N2O.2ClH.Cu/c2*18-15-13(11-17-9-2-1-3-10-17)7-6-12-5-4-8-16-14(12)15;;;/h2*4-8,18H,1-3,9-11H2;2*1H;/q;;;;+2/p-2
InChIKeyYQGVHUSALUNZFY-UHFFFAOYSA-L
XLogP-4.24
TPSA80.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.10
LogP ≤ 5-4.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol
CID 4148781
5-bromo-7-[(4-methylpiperidin-1-ium-1-yl)methyl]quinolin-8-olate
CID 34935092
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol
CID 4142078
bis(1,10-phenanthroline);ruthenium
CID 15001085
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065

Frequently Asked Questions

What is the IUPAC name of copper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride?
The IUPAC name of copper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride (CID 139173667) is copper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride.
What is the SMILES notation for copper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride?
The canonical SMILES for copper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride is [Cl-].[Cl-].[Cu+2].[O-]c1c(C[NH+]2CCCCC2)ccc2cccnc12.[O-]c1c(C[NH+]2CCCCC2)ccc2cccnc12.
What is the InChIKey of copper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride?
The InChIKey is YQGVHUSALUNZFY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H18N2O.2ClH.Cu/c2*18-15-13(11-17-9-2-1-3-10-17)7-6-12-5-4-8-16-14(12)15;;;/h2*4-8,18H,1-3,9-11H2;2*1H;/q;;;;+2/p-2.
What are the key properties of copper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride?
copper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride has a molecular weight of 619.10 g/mol, XLogP of -4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate);dichloride is sourced from PubChem (CID 139173667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).