dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate

C51H54Cl2N8O17Zn2 — CID 139039198

About dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate

dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate (PubChem CID 139039198) has the molecular formula C51H54Cl2N8O17Zn2 and a molecular weight of 1252.72 g/mol. Its IUPAC name is dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate.

Molecular Properties

• Compound Name: dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate
• PubChem CID: 139039198
• Molecular Formula: C51H54Cl2N8O17Zn2
• Molecular Weight: 1252.72 g/mol
• Exact Mass: 1248.16
• IUPAC Name: dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate
• SMILES: CO.CO.CO.O=C([O-])COc1cccc2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc12.O=C([O-])COc1cccc2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc12.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2]
• InChI: InChI=1S/2C24H22N4O3.3CH4O.2ClHO4.2Zn/c2*29-23(30)17-31-22-9-5-6-18-10-11-21(27-24(18)22)16-28(14-19-7-1-3-12-25-19)15-20-8-2-4-13-26-20;3*1-2;2*2-1(3,4)5;;/h2*1-13H,14-17H2,(H,29,30);3*2H,1H3;2*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4
• InChIKey: OEGLUIPRCHUPKD-UHFFFAOYSA-J
• XLogP: -5.98
• TPSA: 427.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1252.72
LogP ≤ 5	-5.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate?

The IUPAC name of dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate (CID 139039198) is dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate.

What is the SMILES notation for dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate?

The canonical SMILES for dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate is CO.CO.CO.O=C([O-])COc1cccc2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc12.O=C([O-])COc1cccc2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc12.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].[Zn+2].

What is the InChIKey of dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate?

The InChIKey is OEGLUIPRCHUPKD-UHFFFAOYSA-J. The full InChI is InChI=1S/2C24H22N4O3.3CH4O.2ClHO4.2Zn/c2*29-23(30)17-31-22-9-5-6-18-10-11-21(27-24(18)22)16-28(14-19-7-1-3-12-25-19)15-20-8-2-4-13-26-20;3*1-2;2*2-1(3,4)5;;/h2*1-13H,14-17H2,(H,29,30);3*2H,1H3;2*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4.

What are the key properties of dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate?

dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate has a molecular weight of 1252.72 g/mol, XLogP of -5.98, 18 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for dizinc;bis(2-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-yl]oxyacetate);methanol;diperchlorate is sourced from PubChem (CID 139039198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).