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

C33H30CdCl2N4O11 — CID 139166073

IUPACcadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate
SMILESCOc1cccc2ccc(CN(Cc3ccc4cccc(OC)c4n3)Cc3ccc4cccc(OC)c4n3)nc12.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=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
InChIKeyJZPYJRWUVKPHEC-UHFFFAOYSA-L
MW841.94 g/mol
LogP-2.96
Rot. Bonds9

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 Namecadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate
PubChem CID139166073
Molecular FormulaC33H30CdCl2N4O11
Molecular Weight841.94 g/mol
Exact Mass842.03
IUPAC Namecadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate
SMILESCOc1cccc2ccc(CN(Cc3ccc4cccc(OC)c4n3)Cc3ccc4cccc(OC)c4n3)nc12.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=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
InChIKeyJZPYJRWUVKPHEC-UHFFFAOYSA-L
XLogP-2.96
TPSA254.08 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.94
LogP ≤ 5-2.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate with MolForge

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Launch Full Analysis

Related Compounds

2-(8-methoxyquinolin-2-yl)acetonitrile
CID 82241154
(2R)-1-(8-methoxyquinolin-2-yl)-N-methylpropan-2-amine
CID 59649232
N-[2-(8-methoxyquinolin-2-yl)ethyl]propan-1-amine
CID 80703316
N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine
CID 106328471
5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol
CID 107316801
2-fluoro-8-methoxyquinoline
CID 54155138
2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol
CID 106173051
3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol
CID 106348826
2-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]-2-methylpropan-1-amine
CID 104759612
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine
CID 80703435
1-(8-methoxyquinolin-2-yl)-1-methylhydrazine
CID 53403066
N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine
CID 80701790

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).