copper bis(2-(quinolin-3-yliminomethyl)phenolate)

C32H22CuN4O2 — CID 139067163

IUPACcopper bis(2-(quinolin-3-yliminomethyl)phenolate)
SMILES[Cu+2].[O-]c1ccccc1/C=N/c1cnc2ccccc2c1.[O-]c1ccccc1/C=N/c1cnc2ccccc2c1
InChIInChI=1S/2C16H12N2O.Cu/c2*19-16-8-4-2-6-13(16)10-17-14-9-12-5-1-3-7-15(12)18-11-14;/h2*1-11,19H;/q;;+2/p-2/b2*17-10+;
InChIKeyCUIJSRBESKWMKV-WVWZWRPUSA-L
MW558.10 g/mol
LogP6.12
Rot. Bonds4

About copper bis(2-(quinolin-3-yliminomethyl)phenolate)

copper bis(2-(quinolin-3-yliminomethyl)phenolate) (PubChem CID 139067163) has the molecular formula C32H22CuN4O2 and a molecular weight of 558.10 g/mol. Its IUPAC name is copper bis(2-(quinolin-3-yliminomethyl)phenolate).

Molecular Properties

Compound Namecopper bis(2-(quinolin-3-yliminomethyl)phenolate)
PubChem CID139067163
Molecular FormulaC32H22CuN4O2
Molecular Weight558.10 g/mol
Exact Mass557.10
IUPAC Namecopper bis(2-(quinolin-3-yliminomethyl)phenolate)
SMILES[Cu+2].[O-]c1ccccc1/C=N/c1cnc2ccccc2c1.[O-]c1ccccc1/C=N/c1cnc2ccccc2c1
InChIInChI=1S/2C16H12N2O.Cu/c2*19-16-8-4-2-6-13(16)10-17-14-9-12-5-1-3-7-15(12)18-11-14;/h2*1-11,19H;/q;;+2/p-2/b2*17-10+;
InChIKeyCUIJSRBESKWMKV-WVWZWRPUSA-L
XLogP6.12
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.10
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Oxine-copper
CID 3032555
Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Indium In-111 Oxyquinoline
CID 119117
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
Bis(quinolin-8-olato-N1,O8)nickel
CID 84198
Gallium 8-hydroxyquinolinate
CID 16686135
Zinc oxyquinolate
CID 84127
Magnesium, bis(8-quinolinolato-kappaN1,kappaO8)-, (T-4)-
CID 106206
17,24-Diaza-1,9-diazoniaheptacyclo[23.6.2.29,16.219,22.13,7.010,15.026,31]octatriaconta-1(32),3(38),4,6,9(37),10,12,14,16(36),19,21,25(33),26,28,30,34-hexadecaen-38-ol
CID 10818198
4-[4-(2-Pyridin-2-ylquinolin-4-yl)piperazin-1-yl]phenol
CID 73345796
2-Allyl-6-(quinolin-3-ylaminomethyl)-phenol
CID 753633

Frequently Asked Questions

What is the IUPAC name of copper bis(2-(quinolin-3-yliminomethyl)phenolate)?
The IUPAC name of copper bis(2-(quinolin-3-yliminomethyl)phenolate) (CID 139067163) is copper bis(2-(quinolin-3-yliminomethyl)phenolate).
What is the SMILES notation for copper bis(2-(quinolin-3-yliminomethyl)phenolate)?
The canonical SMILES for copper bis(2-(quinolin-3-yliminomethyl)phenolate) is [Cu+2].[O-]c1ccccc1/C=N/c1cnc2ccccc2c1.[O-]c1ccccc1/C=N/c1cnc2ccccc2c1.
What is the InChIKey of copper bis(2-(quinolin-3-yliminomethyl)phenolate)?
The InChIKey is CUIJSRBESKWMKV-WVWZWRPUSA-L. The full InChI is InChI=1S/2C16H12N2O.Cu/c2*19-16-8-4-2-6-13(16)10-17-14-9-12-5-1-3-7-15(12)18-11-14;/h2*1-11,19H;/q;;+2/p-2/b2*17-10+;.
What are the key properties of copper bis(2-(quinolin-3-yliminomethyl)phenolate)?
copper bis(2-(quinolin-3-yliminomethyl)phenolate) has a molecular weight of 558.10 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-(quinolin-3-yliminomethyl)phenolate) is sourced from PubChem (CID 139067163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).