copper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate)

C36H28CuN2O4 — CID 139042207

IUPACcopper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate)
SMILESCOc1ccccc1/C=C/c1ccc2cccc([O-])c2n1.COc1ccccc1/C=C/c1ccc2cccc([O-])c2n1.[Cu+2]
InChIInChI=1S/2C18H15NO2.Cu/c2*1-21-17-8-3-2-5-13(17)9-11-15-12-10-14-6-4-7-16(20)18(14)19-15;/h2*2-12,20H,1H3;/q;;+2/p-2/b2*11-9+;
InChIKeyTYOHPMOSYBWINE-NPSXHENPSA-L
MW616.18 g/mol
LogP6.97
Rot. Bonds6

About copper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate)

copper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate) (PubChem CID 139042207) has the molecular formula C36H28CuN2O4 and a molecular weight of 616.18 g/mol. Its IUPAC name is copper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate).

Molecular Properties

Compound Namecopper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate)
PubChem CID139042207
Molecular FormulaC36H28CuN2O4
Molecular Weight616.18 g/mol
Exact Mass615.13
IUPAC Namecopper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate)
SMILESCOc1ccccc1/C=C/c1ccc2cccc([O-])c2n1.COc1ccccc1/C=C/c1ccc2cccc([O-])c2n1.[Cu+2]
InChIInChI=1S/2C18H15NO2.Cu/c2*1-21-17-8-3-2-5-13(17)9-11-15-12-10-14-6-4-7-16(20)18(14)19-15;/h2*2-12,20H,1H3;/q;;+2/p-2/b2*11-9+;
InChIKeyTYOHPMOSYBWINE-NPSXHENPSA-L
XLogP6.97
TPSA90.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.18
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Cunilate
CID 56840841
SK&F 96079
CID 196776
methyl 4-methyl-1-phenyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-6-yl ether
CID 3307854
2-(6-methoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-1-yl)phenyl methyl ether
CID 3758900
1-(4-Methoxy-2-methylphenyl)-4-methyl-6-methoxy-2,3-dihydropyrrolo[3,2-c]quinoline
CID 44366637
N-(8-methoxy-2-methylquinolin-4-yl)-N,9-dimethylcarbazol-3-amine
CID 151953463
2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-ol
CID 5731619
1,6-Hexanediamine, N,N'-bis(4-methoxy-9-acridinyl)-
CID 99662
1,8-Octanediamine, N,N'-bis(4-methoxy-9-acridinyl)-
CID 99663
4-(6-methoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-1-yl)phenyl methyl ether
CID 3600945
2-((2-(1-Phenylcyclopentyl)-4-(quinolin-2-ylmethoxy)phenoxy)methyl)quinoline
CID 44447726
2-Methyl-8-[(2-methylquinolin-8-yl)oxymethoxy]quinoline
CID 25267860

Frequently Asked Questions

What is the IUPAC name of copper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate)?
The IUPAC name of copper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate) (CID 139042207) is copper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate).
What is the SMILES notation for copper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate)?
The canonical SMILES for copper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate) is COc1ccccc1/C=C/c1ccc2cccc([O-])c2n1.COc1ccccc1/C=C/c1ccc2cccc([O-])c2n1.[Cu+2].
What is the InChIKey of copper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate)?
The InChIKey is TYOHPMOSYBWINE-NPSXHENPSA-L. The full InChI is InChI=1S/2C18H15NO2.Cu/c2*1-21-17-8-3-2-5-13(17)9-11-15-12-10-14-6-4-7-16(20)18(14)19-15;/h2*2-12,20H,1H3;/q;;+2/p-2/b2*11-9+;.
What are the key properties of copper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate)?
copper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate) has a molecular weight of 616.18 g/mol, XLogP of 6.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-[(E)-2-(2-methoxyphenyl)ethenyl]quinolin-8-olate) is sourced from PubChem (CID 139042207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).