hexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate)

C77H65Cl3KLi6N8NaO9+8 — CID 158194877

IUPAChexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate)
SMILESC.COc1ccc2cccc([O-])c2[nH+]1.Cc1cc(C)c2ccc[nH+]c2c1[O-].Cc1ccc2cccc([O-])c2[nH+]1.[K+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Na+].[O-]c1c(Cl)cc(Cl)c2ccc[nH+]c12.[O-]c1ccc(Cl)c2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12
InChIInChI=1S/C11H11NO.C10H9NO2.C10H9NO.C9H5Cl2NO.C9H6ClNO.3C9H7NO.CH4.K.6Li.Na/c1-7-6-8(2)11(13)10-9(7)4-3-5-12-10;1-13-9-6-5-7-3-2-4-8(12)10(7)11-9;1-7-5-6-8-3-2-4-9(12)10(8)11-7;10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;10-7-3-4-8(12)9-6(7)2-1-5-11-9;3*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;;;;;/h3-6,13H,1-2H3;2-6,12H,1H3;2-6,12H,1H3;1-4,13H;1-5,12H;3*1-6,11H;1H4;;;;;;;;/q;;;;;;;;;8*+1
InChIKeyGAFJMTVMRJQIPK-UHFFFAOYSA-N
MW1456.51 g/mol
LogP-14.62
Rot. Bonds1

About hexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate)

hexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate) (PubChem CID 158194877) has the molecular formula C77H65Cl3KLi6N8NaO9+8 and a molecular weight of 1456.51 g/mol. Its IUPAC name is hexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate).

Molecular Properties

Compound Namehexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate)
PubChem CID158194877
Molecular FormulaC77H65Cl3KLi6N8NaO9+8
Molecular Weight1456.51 g/mol
Exact Mass1454.44
IUPAC Namehexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate)
SMILESC.COc1ccc2cccc([O-])c2[nH+]1.Cc1cc(C)c2ccc[nH+]c2c1[O-].Cc1ccc2cccc([O-])c2[nH+]1.[K+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Na+].[O-]c1c(Cl)cc(Cl)c2ccc[nH+]c12.[O-]c1ccc(Cl)c2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12
InChIInChI=1S/C11H11NO.C10H9NO2.C10H9NO.C9H5Cl2NO.C9H6ClNO.3C9H7NO.CH4.K.6Li.Na/c1-7-6-8(2)11(13)10-9(7)4-3-5-12-10;1-13-9-6-5-7-3-2-4-8(12)10(7)11-9;1-7-5-6-8-3-2-4-9(12)10(8)11-7;10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;10-7-3-4-8(12)9-6(7)2-1-5-11-9;3*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;;;;;/h3-6,13H,1-2H3;2-6,12H,1H3;2-6,12H,1H3;1-4,13H;1-5,12H;3*1-6,11H;1H4;;;;;;;;/q;;;;;;;;;8*+1
InChIKeyGAFJMTVMRJQIPK-UHFFFAOYSA-N
XLogP-14.62
TPSA306.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms105
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001456.51
LogP ≤ 5-14.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze hexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-(3,3-dimethyl-1,2-dihydroinden-2-yl)-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;2-(7-ethyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;2-(2-methyl-1H-indol-3-yl)quinoline;2-(6-methyl-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline
CID 159678041
Hexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate)
CID 160893179

Frequently Asked Questions

What is the IUPAC name of hexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate)?
The IUPAC name of hexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate) (CID 158194877) is hexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate).
What is the SMILES notation for hexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate)?
The canonical SMILES for hexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate) is C.COc1ccc2cccc([O-])c2[nH+]1.Cc1cc(C)c2ccc[nH+]c2c1[O-].Cc1ccc2cccc([O-])c2[nH+]1.[K+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Na+].[O-]c1c(Cl)cc(Cl)c2ccc[nH+]c12.[O-]c1ccc(Cl)c2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.[O-]c1cccc2ccc[nH+]c12.
What is the InChIKey of hexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate)?
The InChIKey is GAFJMTVMRJQIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.C10H9NO2.C10H9NO.C9H5Cl2NO.C9H6ClNO.3C9H7NO.CH4.K.6Li.Na/c1-7-6-8(2)11(13)10-9(7)4-3-5-12-10;1-13-9-6-5-7-3-2-4-8(12)10(7)11-9;1-7-5-6-8-3-2-4-9(12)10(8)11-7;10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;10-7-3-4-8(12)9-6(7)2-1-5-11-9;3*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;;;;;/h3-6,13H,1-2H3;2-6,12H,1H3;2-6,12H,1H3;1-4,13H;1-5,12H;3*1-6,11H;1H4;;;;;;;;/q;;;;;;;;;8*+1.
What are the key properties of hexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate)?
hexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate) has a molecular weight of 1456.51 g/mol, XLogP of -14.62, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for hexalithium;potassium;sodium;5-chloroquinolin-1-ium-8-olate;5,7-dichloroquinolin-1-ium-8-olate;5,7-dimethylquinolin-1-ium-8-olate;methane;2-methoxyquinolin-1-ium-8-olate;2-methylquinolin-1-ium-8-olate;tris(quinolin-1-ium-8-olate) is sourced from PubChem (CID 158194877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).