zinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate

C31H32N4O6Zn — CID 139239395

IUPACzinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Zn+2].c1ccc(-c2cc(-c3ccc(OCCN4CCOCC4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C27H26N4O2.2C2H4O2.Zn/c1-3-11-28-24(5-1)26-19-22(20-27(30-26)25-6-2-4-12-29-25)21-7-9-23(10-8-21)33-18-15-31-13-16-32-17-14-31;2*1-2(3)4;/h1-12,19-20H,13-18H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyCQQVHWAQZWWSGH-UHFFFAOYSA-L
MW622.01 g/mol
LogP2.09
Rot. Bonds7

About zinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate

zinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate (PubChem CID 139239395) has the molecular formula C31H32N4O6Zn and a molecular weight of 622.01 g/mol. Its IUPAC name is zinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate.

Molecular Properties

Compound Namezinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate
PubChem CID139239395
Molecular FormulaC31H32N4O6Zn
Molecular Weight622.01 g/mol
Exact Mass620.16
IUPAC Namezinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[Zn+2].c1ccc(-c2cc(-c3ccc(OCCN4CCOCC4)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C27H26N4O2.2C2H4O2.Zn/c1-3-11-28-24(5-1)26-19-22(20-27(30-26)25-6-2-4-12-29-25)21-7-9-23(10-8-21)33-18-15-31-13-16-32-17-14-31;2*1-2(3)4;/h1-12,19-20H,13-18H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyCQQVHWAQZWWSGH-UHFFFAOYSA-L
XLogP2.09
TPSA140.63 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.01
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate?
The IUPAC name of zinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate (CID 139239395) is zinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate.
What is the SMILES notation for zinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate?
The canonical SMILES for zinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate is CC(=O)[O-].CC(=O)[O-].[Zn+2].c1ccc(-c2cc(-c3ccc(OCCN4CCOCC4)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of zinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate?
The InChIKey is CQQVHWAQZWWSGH-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H26N4O2.2C2H4O2.Zn/c1-3-11-28-24(5-1)26-19-22(20-27(30-26)25-6-2-4-12-29-25)21-7-9-23(10-8-21)33-18-15-31-13-16-32-17-14-31;2*1-2(3)4;/h1-12,19-20H,13-18H2;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of zinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate?
zinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate has a molecular weight of 622.01 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]ethyl]morpholine;diacetate is sourced from PubChem (CID 139239395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).