copper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate)

C22H12CuN6O4 — CID 160750297

IUPACcopper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate)
SMILESO=C([O-])c1nc2c(ccc3cccnc32)[nH]1.O=C([O-])c1nc2c(ccc3cccnc32)[nH]1.[Cu+2]
InChIInChI=1S/2C11H7N3O2.Cu/c2*15-11(16)10-13-7-4-3-6-2-1-5-12-8(6)9(7)14-10;/h2*1-5H,(H,13,14)(H,15,16);/q;;+2/p-2
InChIKeyRWSNVHJGMIZYMD-UHFFFAOYSA-L
MW487.92 g/mol
LogP0.95
Rot. Bonds2

About copper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate)

copper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate) (PubChem CID 160750297) has the molecular formula C22H12CuN6O4 and a molecular weight of 487.92 g/mol. Its IUPAC name is copper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate).

Molecular Properties

Compound Namecopper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate)
PubChem CID160750297
Molecular FormulaC22H12CuN6O4
Molecular Weight487.92 g/mol
Exact Mass487.02
IUPAC Namecopper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate)
SMILESO=C([O-])c1nc2c(ccc3cccnc32)[nH]1.O=C([O-])c1nc2c(ccc3cccnc32)[nH]1.[Cu+2]
InChIInChI=1S/2C11H7N3O2.Cu/c2*15-11(16)10-13-7-4-3-6-2-1-5-12-8(6)9(7)14-10;/h2*1-5H,(H,13,14)(H,15,16);/q;;+2/p-2
InChIKeyRWSNVHJGMIZYMD-UHFFFAOYSA-L
XLogP0.95
TPSA163.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.92
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)
CID 175903843
1,10-phenanthroline-2-carboxylate;terbium(3+)
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lithium 1,10-phenanthroline-2-carboxylate
CID 158215060
CID 58385596
CID 58385596
copper;bis(2-methylbenzoate);1,10-phenanthroline
CID 139081296
tetracopper;tetrakis(6-carboxypyridine-2-carboxylate);bis(1,10-phenanthroline);bis(pyridine-2,6-dicarboxylate);undecahydrate
CID 139197745
nickel(2+);tris(1,10-phenanthroline);bis(2,4,5-tricarboxybenzoate);hydrate
CID 139082419
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of copper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate)?
The IUPAC name of copper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate) (CID 160750297) is copper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate).
What is the SMILES notation for copper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate)?
The canonical SMILES for copper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate) is O=C([O-])c1nc2c(ccc3cccnc32)[nH]1.O=C([O-])c1nc2c(ccc3cccnc32)[nH]1.[Cu+2].
What is the InChIKey of copper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate)?
The InChIKey is RWSNVHJGMIZYMD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H7N3O2.Cu/c2*15-11(16)10-13-7-4-3-6-2-1-5-12-8(6)9(7)14-10;/h2*1-5H,(H,13,14)(H,15,16);/q;;+2/p-2.
What are the key properties of copper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate)?
copper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate) has a molecular weight of 487.92 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(3H-imidazo[4,5-h]quinoline-2-carboxylate) is sourced from PubChem (CID 160750297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).