tetrakis(5-chloroquinolin-8-ol);zirconium

C36H24Cl4N4O4Zr — CID 153430234

IUPACtetrakis(5-chloroquinolin-8-ol);zirconium
SMILESOc1ccc(Cl)c2cccnc12.Oc1ccc(Cl)c2cccnc12.Oc1ccc(Cl)c2cccnc12.Oc1ccc(Cl)c2cccnc12.[Zr]
InChIInChI=1S/4C9H6ClNO.Zr/c4*10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h4*1-5,12H;
InChIKeyYPAQVJQUVWQGSL-UHFFFAOYSA-N
MW809.65 g/mol
LogP10.37
Rot. Bonds

About tetrakis(5-chloroquinolin-8-ol);zirconium

tetrakis(5-chloroquinolin-8-ol);zirconium (PubChem CID 153430234) has the molecular formula C36H24Cl4N4O4Zr and a molecular weight of 809.65 g/mol. Its IUPAC name is tetrakis(5-chloroquinolin-8-ol);zirconium.

Molecular Properties

Compound Nametetrakis(5-chloroquinolin-8-ol);zirconium
PubChem CID153430234
Molecular FormulaC36H24Cl4N4O4Zr
Molecular Weight809.65 g/mol
Exact Mass805.96
IUPAC Nametetrakis(5-chloroquinolin-8-ol);zirconium
SMILESOc1ccc(Cl)c2cccnc12.Oc1ccc(Cl)c2cccnc12.Oc1ccc(Cl)c2cccnc12.Oc1ccc(Cl)c2cccnc12.[Zr]
InChIInChI=1S/4C9H6ClNO.Zr/c4*10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h4*1-5,12H;
InChIKeyYPAQVJQUVWQGSL-UHFFFAOYSA-N
XLogP10.37
TPSA132.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.65
LogP ≤ 510.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze tetrakis(5-chloroquinolin-8-ol);zirconium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetrakis(5-chloroquinolin-8-ol);zirconium?
The IUPAC name of tetrakis(5-chloroquinolin-8-ol);zirconium (CID 153430234) is tetrakis(5-chloroquinolin-8-ol);zirconium.
What is the SMILES notation for tetrakis(5-chloroquinolin-8-ol);zirconium?
The canonical SMILES for tetrakis(5-chloroquinolin-8-ol);zirconium is Oc1ccc(Cl)c2cccnc12.Oc1ccc(Cl)c2cccnc12.Oc1ccc(Cl)c2cccnc12.Oc1ccc(Cl)c2cccnc12.[Zr].
What is the InChIKey of tetrakis(5-chloroquinolin-8-ol);zirconium?
The InChIKey is YPAQVJQUVWQGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H6ClNO.Zr/c4*10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h4*1-5,12H;.
What are the key properties of tetrakis(5-chloroquinolin-8-ol);zirconium?
tetrakis(5-chloroquinolin-8-ol);zirconium has a molecular weight of 809.65 g/mol, XLogP of 10.37, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(5-chloroquinolin-8-ol);zirconium is sourced from PubChem (CID 153430234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).