hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+))

C58H52N12O8Sc2 — CID 139156737

IUPAChexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+))
SMILESCOCCOC.Nc1ccc2cccc([O-])c2n1.Nc1ccc2cccc([O-])c2n1.Nc1ccc2cccc([O-])c2n1.Nc1ccc2cccc([O-])c2n1.Nc1ccc2cccc([O-])c2n1.Nc1ccc2cccc([O-])c2n1.[Sc+3].[Sc+3]
InChIInChI=1S/6C9H8N2O.C4H10O2.2Sc/c6*10-8-5-4-6-2-1-3-7(12)9(6)11-8;1-5-3-4-6-2;;/h6*1-5,12H,(H2,10,11);3-4H2,1-2H3;;/q;;;;;;;2*+3/p-6
InChIKeyWWIFDSYFLBOYQM-UHFFFAOYSA-H
MW1135.04 g/mol
LogP5.62
Rot. Bonds3

About hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+))

hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+)) (PubChem CID 139156737) has the molecular formula C58H52N12O8Sc2 and a molecular weight of 1135.04 g/mol. Its IUPAC name is hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+)).

Molecular Properties

Compound Namehexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+))
PubChem CID139156737
Molecular FormulaC58H52N12O8Sc2
Molecular Weight1135.04 g/mol
Exact Mass1134.31
IUPAC Namehexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+))
SMILESCOCCOC.Nc1ccc2cccc([O-])c2n1.Nc1ccc2cccc([O-])c2n1.Nc1ccc2cccc([O-])c2n1.Nc1ccc2cccc([O-])c2n1.Nc1ccc2cccc([O-])c2n1.Nc1ccc2cccc([O-])c2n1.[Sc+3].[Sc+3]
InChIInChI=1S/6C9H8N2O.C4H10O2.2Sc/c6*10-8-5-4-6-2-1-3-7(12)9(6)11-8;1-5-3-4-6-2;;/h6*1-5,12H,(H2,10,11);3-4H2,1-2H3;;/q;;;;;;;2*+3/p-6
InChIKeyWWIFDSYFLBOYQM-UHFFFAOYSA-H
XLogP5.62
TPSA390.28 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds3
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001135.04
LogP ≤ 55.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+)) 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

iron(3+);tris(2-methylquinolin-8-olate)
CID 139058244
8-(6-methylheptoxy)quinolin-2-amine
CID 70038087
8-[(E)-but-2-enoxy]quinolin-2-amine
CID 10036173
1-(2-aminoquinolin-8-yl)-2-chloroethanone
CID 134822111
8-amino-N-(2-methoxyethyl)quinoline-2-carboxamide
CID 110487202
5-(2-methoxyethoxy)-6-methylpyridin-2-amine
CID 167709087
8-(4-ethylhexan-3-yloxy)quinolin-2-amine
CID 10016093
8-[2-(1-methylpyrrolidin-2-yl)ethoxy]quinolin-2-amine
CID 22254585
2-carboxyquinolin-8-olate;methylmercury(1+)
CID 70518723
2-carboxyquinolin-8-olate
CID 54696394
8-(6-ethyl-2-pyridinyl)quinolin-2-amine
CID 150045427
tris(2-carboxyquinolin-8-olate);terbium(3+)
CID 157443748

Frequently Asked Questions

What is the IUPAC name of hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+))?
The IUPAC name of hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+)) (CID 139156737) is hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+)).
What is the SMILES notation for hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+))?
The canonical SMILES for hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+)) is COCCOC.Nc1ccc2cccc([O-])c2n1.Nc1ccc2cccc([O-])c2n1.Nc1ccc2cccc([O-])c2n1.Nc1ccc2cccc([O-])c2n1.Nc1ccc2cccc([O-])c2n1.Nc1ccc2cccc([O-])c2n1.[Sc+3].[Sc+3].
What is the InChIKey of hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+))?
The InChIKey is WWIFDSYFLBOYQM-UHFFFAOYSA-H. The full InChI is InChI=1S/6C9H8N2O.C4H10O2.2Sc/c6*10-8-5-4-6-2-1-3-7(12)9(6)11-8;1-5-3-4-6-2;;/h6*1-5,12H,(H2,10,11);3-4H2,1-2H3;;/q;;;;;;;2*+3/p-6.
What are the key properties of hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+))?
hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+)) has a molecular weight of 1135.04 g/mol, XLogP of 5.62, 3 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+)) is sourced from PubChem (CID 139156737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).