4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile

C18H12N2O — CID 6223895

IUPAC4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1
InChIInChI=1S/C18H12N2O/c19-12-14-6-4-13(5-7-14)8-10-16-11-9-15-2-1-3-17(21)18(15)20-16/h1-11,21H/b10-8+
InChIKeyQQQBXNLRAQMCPS-CSKARUKUSA-N
MW272.31 g/mol
LogP3.98
Rot. Bonds2

About 4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile

4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile (PubChem CID 6223895) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile
PubChem CID6223895
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1
InChIInChI=1S/C18H12N2O/c19-12-14-6-4-13(5-7-14)8-10-16-11-9-15-2-1-3-17(21)18(15)20-16/h1-11,21H/b10-8+
InChIKeyQQQBXNLRAQMCPS-CSKARUKUSA-N
XLogP3.98
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile (CID 6223895) is 4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile is N#Cc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1.
What is the InChIKey of 4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile?
The InChIKey is QQQBXNLRAQMCPS-CSKARUKUSA-N. The full InChI is InChI=1S/C18H12N2O/c19-12-14-6-4-13(5-7-14)8-10-16-11-9-15-2-1-3-17(21)18(15)20-16/h1-11,21H/b10-8+.
What are the key properties of 4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile?
4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile has a molecular weight of 272.31 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]benzonitrile is sourced from PubChem (CID 6223895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).