dicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate

C58H76Cl4Cu2N8O12 — CID 139173665

IUPACdicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate
SMILESCO.CO.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[Cu+2].[Cu+2].[O-]c1c(C[NH+]2CCOCC2)ccc2cccnc12.[O-]c1c(C[NH+]2CCOCC2)ccc2cccnc12.[O-]c1c(C[NH+]2CCOCC2)ccc2cccnc12.[O-]c1c(C[NH+]2CCOCC2)ccc2cccnc12
InChIInChI=1S/4C14H16N2O2.2CH4O.4ClH.2Cu.2H2O/c4*17-14-12(10-16-6-8-18-9-7-16)4-3-11-2-1-5-15-13(11)14;2*1-2;;;;;;;;/h4*1-5,17H,6-10H2;2*2H,1H3;4*1H;;;2*1H2/q;;;;;;;;;;2*+2;;/p-4
InChIKeyYVTKOGPFENULOJ-UHFFFAOYSA-J
MW1346.19 g/mol
LogP-15.53
Rot. Bonds8

About dicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate

dicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate (PubChem CID 139173665) has the molecular formula C58H76Cl4Cu2N8O12 and a molecular weight of 1346.19 g/mol. Its IUPAC name is dicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate.

Molecular Properties

Compound Namedicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate
PubChem CID139173665
Molecular FormulaC58H76Cl4Cu2N8O12
Molecular Weight1346.19 g/mol
Exact Mass1342.29
IUPAC Namedicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate
SMILESCO.CO.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[Cu+2].[Cu+2].[O-]c1c(C[NH+]2CCOCC2)ccc2cccnc12.[O-]c1c(C[NH+]2CCOCC2)ccc2cccnc12.[O-]c1c(C[NH+]2CCOCC2)ccc2cccnc12.[O-]c1c(C[NH+]2CCOCC2)ccc2cccnc12
InChIInChI=1S/4C14H16N2O2.2CH4O.4ClH.2Cu.2H2O/c4*17-14-12(10-16-6-8-18-9-7-16)4-3-11-2-1-5-15-13(11)14;2*1-2;;;;;;;;/h4*1-5,17H,6-10H2;2*2H,1H3;4*1H;;;2*1H2/q;;;;;;;;;;2*+2;;/p-4
InChIKeyYVTKOGPFENULOJ-UHFFFAOYSA-J
XLogP-15.53
TPSA301.94 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001346.19
LogP ≤ 5-15.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze dicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate with MolForge

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Related Compounds

Tricopper;hexakis(5,7-dimethylquinolin-8-olate)
CID 139040557
Methoxyoxobis(quinolin-8-olato-kappa^2^N,O)vanadium(V)
CID 139071859
Tetrakis(quinolin-8-olato-kappa^2^N,O)hafnium(IV) toluene disolvate
CID 139077805
Tetrakis(8-quinolinolato-kappa^2^N,O)hafnium(IV) dimethylformamide solvate monohydrate
CID 139078843
Tetrakis(5,7-dimethylquinolin-8-olato-kappa^2^N,O)hafnium(IV) dimethylformamide disolvate
CID 139082165
cyclo-Tetrakis{mu-N'-[(8-oxidoquinolin-7-yl)methylidene]isonicotinohydrazidato}tetrazinc tetrahydrate
CID 139083911
bis(7-(piperidin-1-ylmethyl)quinolin-8-ol)-copper(II) dichlorid
CID 139173667
Disodium;tetrakis(cobalt(2+));tetrakis(7-[1-(8-oxidoquinolin-7-yl)ethyl]quinolin-8-olate);bis(quinolin-8-olate)
CID 139198081
7-[10,15,20-Tris(8-hydroxyquinolin-7-yl)-21,23-dihydroporphyrin-5-yl]quinolin-8-ol
CID 16161249
Bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane
CID 20678135
5,10,15,20-Tetrakis(8-methoxyquinolin-7-yl)-21,22,23,24-tetrahydroporphyrin
CID 53889058
7-[10,15,20-Tris(8-hydroxyquinolin-7-yl)-21,22,23,24-tetrahydroporphyrin-5-yl]quinolin-8-ol
CID 136156853

Frequently Asked Questions

What is the IUPAC name of dicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate?
The IUPAC name of dicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate (CID 139173665) is dicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate.
What is the SMILES notation for dicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate?
The canonical SMILES for dicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate is CO.CO.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[Cu+2].[Cu+2].[O-]c1c(C[NH+]2CCOCC2)ccc2cccnc12.[O-]c1c(C[NH+]2CCOCC2)ccc2cccnc12.[O-]c1c(C[NH+]2CCOCC2)ccc2cccnc12.[O-]c1c(C[NH+]2CCOCC2)ccc2cccnc12.
What is the InChIKey of dicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate?
The InChIKey is YVTKOGPFENULOJ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C14H16N2O2.2CH4O.4ClH.2Cu.2H2O/c4*17-14-12(10-16-6-8-18-9-7-16)4-3-11-2-1-5-15-13(11)14;2*1-2;;;;;;;;/h4*1-5,17H,6-10H2;2*2H,1H3;4*1H;;;2*1H2/q;;;;;;;;;;2*+2;;/p-4.
What are the key properties of dicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate?
dicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate has a molecular weight of 1346.19 g/mol, XLogP of -15.53, 8 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;methanol;tetrakis(7-(morpholin-4-ium-4-ylmethyl)quinolin-8-olate);tetrachloride;dihydrate is sourced from PubChem (CID 139173665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).