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

C33H30Cl2N4O11Zn — CID 139166072

IUPACzinc;1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate
SMILESCOc1cccc2ccc(CN(Cc3ccc4cccc(OC)c4n3)Cc3ccc4cccc(OC)c4n3)nc12.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2]
InChIInChI=1S/C33H30N4O3.2ClHO4.Zn/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
InChIKeyJJXYRARJEWILFZ-UHFFFAOYSA-L
MW794.92 g/mol
LogP-2.96
Rot. Bonds9

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

zinc;1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate (PubChem CID 139166072) has the molecular formula C33H30Cl2N4O11Zn and a molecular weight of 794.92 g/mol. Its IUPAC name is zinc;1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate.

Molecular Properties

Compound Namezinc;1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate
PubChem CID139166072
Molecular FormulaC33H30Cl2N4O11Zn
Molecular Weight794.92 g/mol
Exact Mass792.06
IUPAC Namezinc;1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate
SMILESCOc1cccc2ccc(CN(Cc3ccc4cccc(OC)c4n3)Cc3ccc4cccc(OC)c4n3)nc12.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2]
InChIInChI=1S/C33H30N4O3.2ClHO4.Zn/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
InChIKeyJJXYRARJEWILFZ-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 ≤ 500794.92
LogP ≤ 5-2.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze zinc;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

copper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate)
CID 139042207
copper;N-(pyridin-2-ylmethyl)-2-quinolin-8-yloxy-N-(2-quinolin-8-yloxyethyl)ethanamine;diperchlorate
CID 139044985
[2,6-Bis(8-quinolyloxymethyl)pyridine]dinitratocadmium(II)
CID 139069176
Bis{mu-4'-[4-(quinolin-8-yloxymethyl)phenyl]-2,2':6',2''-terpyridine}disilver(I) bis(perchlorate) dimethylformamide disolvate
CID 139077919
2-[[4,7-Bis[(8-oxidoquinolin-2-yl)methyl]-1,4,7-triazonan-1-yl]methyl]quinolin-8-olate;neodymium(3+)
CID 139126697
2-[[4,7-Bis[(8-oxidoquinolin-2-yl)methyl]-1,4,7-triazonan-1-yl]methyl]quinolin-8-olate;ytterbium(3+)
CID 139126698
hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate
CID 139127858
2-[[4,7-Bis[(6-methoxyquinolin-2-yl)methyl]-1,4,7-triazonan-1-yl]methyl]-6-methoxyquinoline;cadmium(2+);diperchlorate
CID 139163054
dichloromethane;bis(1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine)
CID 139166071
cadmium(2+);1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate
CID 139166073
dizinc;2-[2-[2-[bis[(6-methoxyquinolin-2-yl)methyl]amino]ethoxy]ethoxy]-N,N-bis[(6-methoxyquinolin-2-yl)methyl]ethanamine;hydroxide;triperchlorate
CID 168342751
zinc;N,N,N',N'-tetrakis[(6-methoxyquinolin-2-yl)methyl]ethane-1,2-diamine;diperchlorate
CID 168344958

Frequently Asked Questions

What is the IUPAC name of zinc;1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate?
The IUPAC name of zinc;1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate (CID 139166072) is zinc;1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate.
What is the SMILES notation for zinc;1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate?
The canonical SMILES for zinc;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.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Zn+2].
What is the InChIKey of zinc;1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate?
The InChIKey is JJXYRARJEWILFZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C33H30N4O3.2ClHO4.Zn/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 zinc;1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate?
zinc;1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate has a molecular weight of 794.92 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 zinc;1-(8-methoxyquinolin-2-yl)-N,N-bis[(8-methoxyquinolin-2-yl)methyl]methanamine;diperchlorate is sourced from PubChem (CID 139166072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).