3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+)

C30H20Cl2N6NiO4+2 — CID 170839859

IUPAC3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+)
SMILESO=c1[nH]c2ccccc2c(O)c1/[NH+]=N/c1ccc(Cl)cc1.O=c1[nH]c2ccccc2c([O-])c1/N=N/c1ccc(Cl)cc1.[Ni+2]
InChIInChI=1S/2C15H10ClN3O2.Ni/c2*16-9-5-7-10(8-6-9)18-19-13-14(20)11-3-1-2-4-12(11)17-15(13)21;/h2*1-8H,(H2,17,20,21);/q;;+2/b2*19-18+;
InChIKeyBEGSKDOWMOKGNK-VFUQPONKSA-N
MW658.13 g/mol
LogP6.05
Rot. Bonds4

About 3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+)

3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+) (PubChem CID 170839859) has the molecular formula C30H20Cl2N6NiO4+2 and a molecular weight of 658.13 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+).

Molecular Properties

Compound Name3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+)
PubChem CID170839859
Molecular FormulaC30H20Cl2N6NiO4+2
Molecular Weight658.13 g/mol
Exact Mass656.03
IUPAC Name3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+)
SMILESO=c1[nH]c2ccccc2c(O)c1/[NH+]=N/c1ccc(Cl)cc1.O=c1[nH]c2ccccc2c([O-])c1/N=N/c1ccc(Cl)cc1.[Ni+2]
InChIInChI=1S/2C15H10ClN3O2.Ni/c2*16-9-5-7-10(8-6-9)18-19-13-14(20)11-3-1-2-4-12(11)17-15(13)21;/h2*1-8H,(H2,17,20,21);/q;;+2/b2*19-18+;
InChIKeyBEGSKDOWMOKGNK-VFUQPONKSA-N
XLogP6.05
TPSA160.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.13
LogP ≤ 56.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+) with MolForge

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Related Compounds

3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+)
CID 170842138
2-[4-[(4-hydroxy-2-oxo-1H-quinolin-3-yl)diazenyl]phenyl]sulfonylethyl-trimethylazanium
CID 136707776
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one
CID 142207951
[2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene
CID 3837717
3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
CID 3565046
4-[[2-(4-chlorophenyl)-1H-indol-3-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 3021181
N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54677806
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
3-(4-chlorophenyl)sulfanyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 90645721
3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
CID 136867759

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+)?
The IUPAC name of 3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+) (CID 170839859) is 3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+).
What is the SMILES notation for 3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+)?
The canonical SMILES for 3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+) is O=c1[nH]c2ccccc2c(O)c1/[NH+]=N/c1ccc(Cl)cc1.O=c1[nH]c2ccccc2c([O-])c1/N=N/c1ccc(Cl)cc1.[Ni+2].
What is the InChIKey of 3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+)?
The InChIKey is BEGSKDOWMOKGNK-VFUQPONKSA-N. The full InChI is InChI=1S/2C15H10ClN3O2.Ni/c2*16-9-5-7-10(8-6-9)18-19-13-14(20)11-3-1-2-4-12(11)17-15(13)21;/h2*1-8H,(H2,17,20,21);/q;;+2/b2*19-18+;.
What are the key properties of 3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+)?
3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+) has a molecular weight of 658.13 g/mol, XLogP of 6.05, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)diazenyl]-2-oxo-1H-quinolin-4-olate;(4-chlorophenyl)imino-(4-hydroxy-2-oxo-1H-quinolin-3-yl)azanium;nickel(2+) is sourced from PubChem (CID 170839859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).