2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline

C22H16N2O — CID 66776126

IUPAC2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline
SMILESC(=C/c1cnc2ccccc2n1)\c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H16N2O/c1-2-6-19(7-3-1)25-20-14-11-17(12-15-20)10-13-18-16-23-21-8-4-5-9-22(21)24-18/h1-16H/b13-10+
InChIKeyAEULNQPAUIPKGZ-JLHYYAGUSA-N
MW324.38 g/mol
LogP5.59
Rot. Bonds4

About 2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline

2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline (PubChem CID 66776126) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline.

Molecular Properties

Compound Name2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline
PubChem CID66776126
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline
SMILESC(=C/c1cnc2ccccc2n1)\c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H16N2O/c1-2-6-19(7-3-1)25-20-14-11-17(12-15-20)10-13-18-16-23-21-8-4-5-9-22(21)24-18/h1-16H/b13-10+
InChIKeyAEULNQPAUIPKGZ-JLHYYAGUSA-N
XLogP5.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline?
The IUPAC name of 2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline (CID 66776126) is 2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline.
What is the SMILES notation for 2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline?
The canonical SMILES for 2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline is C(=C/c1cnc2ccccc2n1)\c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline?
The InChIKey is AEULNQPAUIPKGZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H16N2O/c1-2-6-19(7-3-1)25-20-14-11-17(12-15-20)10-13-18-16-23-21-8-4-5-9-22(21)24-18/h1-16H/b13-10+.
What are the key properties of 2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline?
2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline has a molecular weight of 324.38 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline is sourced from PubChem (CID 66776126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).