3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+)

C30H18Cl2N6NiO4 — CID 170842138

IUPAC3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+)
SMILESO=c1[nH]c2ccccc2c(O)c1/N=N/c1ccc(Cl)cc1.[Ni+2].[O-]c1nc2ccccc2c([O-])c1/N=N/c1ccc(Cl)cc1
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/p-2/b2*19-18+;
InChIKeyBEGSKDOWMOKGNK-VFUQPONKSA-L
MW656.11 g/mol
LogP7.75
Rot. Bonds4

About 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+)

3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+) (PubChem CID 170842138) has the molecular formula C30H18Cl2N6NiO4 and a molecular weight of 656.11 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+).

Molecular Properties

Compound Name3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+)
PubChem CID170842138
Molecular FormulaC30H18Cl2N6NiO4
Molecular Weight656.11 g/mol
Exact Mass654.01
IUPAC Name3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+)
SMILESO=c1[nH]c2ccccc2c(O)c1/N=N/c1ccc(Cl)cc1.[Ni+2].[O-]c1nc2ccccc2c([O-])c1/N=N/c1ccc(Cl)cc1
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/p-2/b2*19-18+;
InChIKeyBEGSKDOWMOKGNK-VFUQPONKSA-L
XLogP7.75
TPSA161.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.11
LogP ≤ 57.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+)?
The IUPAC name of 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+) (CID 170842138) is 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+).
What is the SMILES notation for 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+)?
The canonical SMILES for 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+) is O=c1[nH]c2ccccc2c(O)c1/N=N/c1ccc(Cl)cc1.[Ni+2].[O-]c1nc2ccccc2c([O-])c1/N=N/c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+)?
The InChIKey is BEGSKDOWMOKGNK-VFUQPONKSA-L. 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/p-2/b2*19-18+;.
What are the key properties of 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+)?
3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+) has a molecular weight of 656.11 g/mol, XLogP of 7.75, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one;3-[(4-chlorophenyl)diazenyl]quinoline-2,4-diolate;nickel(2+) is sourced from PubChem (CID 170842138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).