Cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate

C₃₃H₃₀CdCl₂N₄O₁₁ — CID 139166073

About Cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate

Cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate (PubChem CID 139166073) has the molecular formula C₃₃H₃₀CdCl₂N₄O₁₁ and a molecular weight of 841.94 g/mol. Its IUPAC name is cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate.

Molecular Properties

• Compound Name: Cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate
• PubChem CID: 139166073
• Molecular Formula: C₃₃H₃₀CdCl₂N₄O₁₁
• Molecular Weight: 841.94 g/mol
• Exact Mass: 842.03
• IUPAC Name: cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate
• SMILES: COc1cccc2ccc(CN(Cc3ccc4cccc(OC)c4n3)Cc3ccc4cccc(OC)c4n3)nc12.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/C33H30N4O3.Cd.2ClHO4/c1-38-28-10-4-7-22-13-16-25(34-31(22)28)19-37(20-26-17-14-23-8-5-11-29(39-2)32(23)35-26)21-27-18-15-24-9-6-12-30(40-3)33(24)36-27;;2*2-1(3,4)5/h4-18H,19-21H2,1-3H3;;2*(H,2,3,4,5)/q;+2;;/p-2
• InChIKey: JZPYJRWUVKPHEC-UHFFFAOYSA-L
• XLogP: -2.96
• TPSA: 254.08 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.94
LogP ≤ 5	-2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of Cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate?

The IUPAC name of Cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate (CID 139166073) is cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate.

What is the SMILES notation for Cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate?

The canonical SMILES for Cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate is COc1cccc2ccc(CN(Cc3ccc4cccc(OC)c4n3)Cc3ccc4cccc(OC)c4n3)nc12.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of Cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate?

The InChIKey is JZPYJRWUVKPHEC-UHFFFAOYSA-L. The full InChI is InChI=1S/C33H30N4O3.Cd.2ClHO4/c1-38-28-10-4-7-22-13-16-25(34-31(22)28)19-37(20-26-17-14-23-8-5-11-29(39-2)32(23)35-26)21-27-18-15-24-9-6-12-30(40-3)33(24)36-27;;2*2-1(3,4)5/h4-18H,19-21H2,1-3H3;;2*(H,2,3,4,5)/q;+2;;/p-2.

What are the key properties of Cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate?

Cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate has a molecular weight of 841.94 g/mol, XLogP of -2.96, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for Cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate is sourced from PubChem (CID 139166073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139166073 — identifiers, structure, computed properties (public domain)

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