magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride

C18H13ClMgN2 — CID 173379946

IUPACmagnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride
SMILESN#Cc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C18H11ClN2.Mg.2H/c19-16-7-5-15-6-9-17(21-18(15)11-16)8-4-13-2-1-3-14(10-13)12-20;;;/h1-11H;;;/q;+2;2*-1/b8-4+;;;
InChIKeyQRGJELHLGAUKMC-SJKHGNCSSA-N
MW317.07 g/mol
LogP4.77
Rot. Bonds2

About magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride

magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride (PubChem CID 173379946) has the molecular formula C18H13ClMgN2 and a molecular weight of 317.07 g/mol. Its IUPAC name is magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride.

Molecular Properties

Compound Namemagnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride
PubChem CID173379946
Molecular FormulaC18H13ClMgN2
Molecular Weight317.07 g/mol
Exact Mass316.06
IUPAC Namemagnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride
SMILESN#Cc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C18H11ClN2.Mg.2H/c19-16-7-5-15-6-9-17(21-18(15)11-16)8-4-13-2-1-3-14(10-13)12-20;;;/h1-11H;;;/q;+2;2*-1/b8-4+;;;
InChIKeyQRGJELHLGAUKMC-SJKHGNCSSA-N
XLogP4.77
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.07
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride?
The IUPAC name of magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride (CID 173379946) is magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride.
What is the SMILES notation for magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride?
The canonical SMILES for magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride is N#Cc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride?
The InChIKey is QRGJELHLGAUKMC-SJKHGNCSSA-N. The full InChI is InChI=1S/C18H11ClN2.Mg.2H/c19-16-7-5-15-6-9-17(21-18(15)11-16)8-4-13-2-1-3-14(10-13)12-20;;;/h1-11H;;;/q;+2;2*-1/b8-4+;;;.
What are the key properties of magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride?
magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride has a molecular weight of 317.07 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride is sourced from PubChem (CID 173379946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).