octakis(quinolin-8-ol);zinc

C72H56N8O8Zn4 — CID 59722249

IUPACoctakis(quinolin-8-ol);zinc
SMILESOc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/8C9H7NO.4Zn/c8*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;/h8*1-6,11H;;;;
InChIKeyOWADVMHJTXGXRG-UHFFFAOYSA-N
MW1422.85 g/mol
LogP15.51
Rot. Bonds

About octakis(quinolin-8-ol);zinc

octakis(quinolin-8-ol);zinc (PubChem CID 59722249) has the molecular formula C72H56N8O8Zn4 and a molecular weight of 1422.85 g/mol. Its IUPAC name is octakis(quinolin-8-ol);zinc.

Molecular Properties

Compound Nameoctakis(quinolin-8-ol);zinc
PubChem CID59722249
Molecular FormulaC72H56N8O8Zn4
Molecular Weight1422.85 g/mol
Exact Mass1416.14
IUPAC Nameoctakis(quinolin-8-ol);zinc
SMILESOc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.[Zn].[Zn].[Zn].[Zn]
InChIInChI=1S/8C9H7NO.4Zn/c8*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;/h8*1-6,11H;;;;
InChIKeyOWADVMHJTXGXRG-UHFFFAOYSA-N
XLogP15.51
TPSA264.96 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001422.85
LogP ≤ 515.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze octakis(quinolin-8-ol);zinc 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

Tetrakis(quinolin-8-olate);zirconium(4+)
CID 139195714
Uranium quinolin-8-olate
CID 129712793
Methoxyoxobis(quinolin-8-olato-kappa^2^N,O)vanadium(V)
CID 139071859
Bis(acetato-kappaO)bis(mu~3~-quinolin-8-olato-kappa^4^N,O:O:O)tetrakis(mu~2~-quinolin-8-olato-kappa^3^N,O:O)tetrazinc(II) dihydrate
CID 139076884
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
cyclo-Tetrakis{mu-N'-[(8-oxidoquinolin-7-yl)methylidene]isonicotinohydrazidato}tetrazinc tetrahydrate
CID 139083911
1,1-bis[kappa-O,N-(8-oxyquinolinato)]silacyclohexane
CID 139102092
Dizinc;bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]quinolin-8-olate);diperchlorate
CID 139127859
Tetrakis(manganese(2+));hexakis(2-(pyridin-2-ylmethylideneamino)phenolate);diperchlorate
CID 139129268
Hexakis(2-methylquinolin-8-olate);tris(palladium(2+))
CID 139145173
1,2-Dimethoxyethane;hexakis(quinolin-8-olate);bis(scandium(3+))
CID 139156738

Frequently Asked Questions

What is the IUPAC name of octakis(quinolin-8-ol);zinc?
The IUPAC name of octakis(quinolin-8-ol);zinc (CID 59722249) is octakis(quinolin-8-ol);zinc.
What is the SMILES notation for octakis(quinolin-8-ol);zinc?
The canonical SMILES for octakis(quinolin-8-ol);zinc is Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.Oc1cccc2cccnc12.[Zn].[Zn].[Zn].[Zn].
What is the InChIKey of octakis(quinolin-8-ol);zinc?
The InChIKey is OWADVMHJTXGXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/8C9H7NO.4Zn/c8*11-8-5-1-3-7-4-2-6-10-9(7)8;;;;/h8*1-6,11H;;;;.
What are the key properties of octakis(quinolin-8-ol);zinc?
octakis(quinolin-8-ol);zinc has a molecular weight of 1422.85 g/mol, XLogP of 15.51, 0 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(quinolin-8-ol);zinc is sourced from PubChem (CID 59722249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).