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

C40H36N4O8Zr — CID 153430237

IUPACtetrakis(5-methoxyquinolin-8-ol);zirconium
SMILESCOc1ccc(O)c2ncccc12.COc1ccc(O)c2ncccc12.COc1ccc(O)c2ncccc12.COc1ccc(O)c2ncccc12.[Zr]
InChIInChI=1S/4C10H9NO2.Zr/c4*1-13-9-5-4-8(12)10-7(9)3-2-6-11-10;/h4*2-6,12H,1H3;
InChIKeyFAGPFVQZVUYNJJ-UHFFFAOYSA-N
MW791.97 g/mol
LogP7.79
Rot. Bonds4

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

tetrakis(5-methoxyquinolin-8-ol);zirconium (PubChem CID 153430237) has the molecular formula C40H36N4O8Zr and a molecular weight of 791.97 g/mol. Its IUPAC name is tetrakis(5-methoxyquinolin-8-ol);zirconium.

Molecular Properties

Compound Nametetrakis(5-methoxyquinolin-8-ol);zirconium
PubChem CID153430237
Molecular FormulaC40H36N4O8Zr
Molecular Weight791.97 g/mol
Exact Mass790.16
IUPAC Nametetrakis(5-methoxyquinolin-8-ol);zirconium
SMILESCOc1ccc(O)c2ncccc12.COc1ccc(O)c2ncccc12.COc1ccc(O)c2ncccc12.COc1ccc(O)c2ncccc12.[Zr]
InChIInChI=1S/4C10H9NO2.Zr/c4*1-13-9-5-4-8(12)10-7(9)3-2-6-11-10;/h4*2-6,12H,1H3;
InChIKeyFAGPFVQZVUYNJJ-UHFFFAOYSA-N
XLogP7.79
TPSA169.40 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500791.97
LogP ≤ 57.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

Tetrakis(quinolin-8-olate);zirconium(4+)
CID 139195714
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
Bis[(2-methylquinolin-8-yl)oxy]-[4-[(2-methylquinolin-8-yl)oxy-quinolin-8-yloxyalumanyl]oxyphenoxy]alumane
CID 21363295
[8-Di(quinolin-8-yloxy)alumanyloxyquinolin-5-yl] prop-2-enoate
CID 57548839
Bis((8-hydroxyquinolin-5-yl) prop-2-enoate);ZINC
CID 57548863
[8-Bis[(5-isocyanato-7-methylquinolin-8-yl)oxy]alumanyloxy-7-methylquinolin-5-yl] cyanate
CID 58233081
(8-Hydroxyquinolin-5-yl) cyanate;5-isocyanatoquinolin-8-ol;ZINC
CID 58233087
Tetrakis(quinolin-8-ol);zirconium
CID 60008836
Hafnium;tetrakis(quinolin-8-ol)
CID 60008837
CID 68990994
CID 68990994

Frequently Asked Questions

What is the IUPAC name of tetrakis(5-methoxyquinolin-8-ol);zirconium?
The IUPAC name of tetrakis(5-methoxyquinolin-8-ol);zirconium (CID 153430237) is tetrakis(5-methoxyquinolin-8-ol);zirconium.
What is the SMILES notation for tetrakis(5-methoxyquinolin-8-ol);zirconium?
The canonical SMILES for tetrakis(5-methoxyquinolin-8-ol);zirconium is COc1ccc(O)c2ncccc12.COc1ccc(O)c2ncccc12.COc1ccc(O)c2ncccc12.COc1ccc(O)c2ncccc12.[Zr].
What is the InChIKey of tetrakis(5-methoxyquinolin-8-ol);zirconium?
The InChIKey is FAGPFVQZVUYNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H9NO2.Zr/c4*1-13-9-5-4-8(12)10-7(9)3-2-6-11-10;/h4*2-6,12H,1H3;.
What are the key properties of tetrakis(5-methoxyquinolin-8-ol);zirconium?
tetrakis(5-methoxyquinolin-8-ol);zirconium has a molecular weight of 791.97 g/mol, XLogP of 7.79, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(5-methoxyquinolin-8-ol);zirconium is sourced from PubChem (CID 153430237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).