copper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate

C20H20CuN4O4 — CID 139044015

IUPACcopper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate
SMILESCC(C)(C)c1cccc(/C=N/Nc2ccc3ccccc3n2)c1[O-].O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/C20H21N3O.Cu.NO3/c1-20(2,3)16-9-6-8-15(19(16)24)13-21-23-18-12-11-14-7-4-5-10-17(14)22-18;;2-1(3)4/h4-13,24H,1-3H3,(H,22,23);;/q;+2;-1/p-1/b21-13+;;
InChIKeyLVWZGJVLKYKOEK-ORKRDPRMSA-M
MW443.95 g/mol
LogP3.81
Rot. Bonds3

About copper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate

copper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate (PubChem CID 139044015) has the molecular formula C20H20CuN4O4 and a molecular weight of 443.95 g/mol. Its IUPAC name is copper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate.

Molecular Properties

Compound Namecopper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate
PubChem CID139044015
Molecular FormulaC20H20CuN4O4
Molecular Weight443.95 g/mol
Exact Mass443.08
IUPAC Namecopper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate
SMILESCC(C)(C)c1cccc(/C=N/Nc2ccc3ccccc3n2)c1[O-].O=[N+]([O-])[O-].[Cu+2]
InChIInChI=1S/C20H21N3O.Cu.NO3/c1-20(2,3)16-9-6-8-15(19(16)24)13-21-23-18-12-11-14-7-4-5-10-17(14)22-18;;2-1(3)4/h4-13,24H,1-3H3,(H,22,23);;/q;+2;-1/p-1/b21-13+;;
InChIKeyLVWZGJVLKYKOEK-ORKRDPRMSA-M
XLogP3.81
TPSA126.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.95
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dicopper;4-tert-butyl-2,6-bis[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;methanol;hydroxide;diperchlorate
CID 139044019
2-Prop-2-enyl-6-[(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 4104907
2-Hydroxybenzaldehyde (4-methyl-2-quinolinyl)hydrazone
CID 135541730
2,6-di-tert-butyl-4-{(E)-[2-(quinolin-2-yl)hydrazinylidene]methyl}phenol
CID 135618871
2-[[(4-Methylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 1389794
2-{(E)-[2-(4-methylquinolin-2-yl)hydrazinylidene]methyl}phenol
CID 135642867
2-[(E)-[(3-methylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 136626729
2-[[(3-Methylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 154064590
2,6-Ditert-butyl-4-[[(3,7-dimethylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 1557223
N-[(2-methoxyphenyl)methylideneamino]-4-methylquinolin-2-amine
CID 2867356
N-[(2-methoxyphenyl)methylideneamino]-4,8-dimethylquinolin-2-amine
CID 3141463
2-[[(4-Methylquinolin-2-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 3317027

Frequently Asked Questions

What is the IUPAC name of copper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate?
The IUPAC name of copper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate (CID 139044015) is copper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate.
What is the SMILES notation for copper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate?
The canonical SMILES for copper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate is CC(C)(C)c1cccc(/C=N/Nc2ccc3ccccc3n2)c1[O-].O=[N+]([O-])[O-].[Cu+2].
What is the InChIKey of copper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate?
The InChIKey is LVWZGJVLKYKOEK-ORKRDPRMSA-M. The full InChI is InChI=1S/C20H21N3O.Cu.NO3/c1-20(2,3)16-9-6-8-15(19(16)24)13-21-23-18-12-11-14-7-4-5-10-17(14)22-18;;2-1(3)4/h4-13,24H,1-3H3,(H,22,23);;/q;+2;-1/p-1/b21-13+;;.
What are the key properties of copper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate?
copper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate has a molecular weight of 443.95 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-tert-butyl-6-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenolate;nitrate is sourced from PubChem (CID 139044015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).