2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline

C26H22N2O2 — CID 5473489

IUPAC2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline
SMILESCOc1ccc(/C=C/c2nc3ccccc3nc2/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H22N2O2/c1-29-21-13-7-19(8-14-21)11-17-25-26(28-24-6-4-3-5-23(24)27-25)18-12-20-9-15-22(30-2)16-10-20/h3-18H,1-2H3/b17-11+,18-12+
InChIKeySYIXBDFCOLPXSD-JYFOCSDGSA-N
MW394.47 g/mol
LogP5.99
Rot. Bonds6

About 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline

2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline (PubChem CID 5473489) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline.

Molecular Properties

Compound Name2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline
PubChem CID5473489
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline
SMILESCOc1ccc(/C=C/c2nc3ccccc3nc2/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H22N2O2/c1-29-21-13-7-19(8-14-21)11-17-25-26(28-24-6-4-3-5-23(24)27-25)18-12-20-9-15-22(30-2)16-10-20/h3-18H,1-2H3/b17-11+,18-12+
InChIKeySYIXBDFCOLPXSD-JYFOCSDGSA-N
XLogP5.99
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline?
The IUPAC name of 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline (CID 5473489) is 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline.
What is the SMILES notation for 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline?
The canonical SMILES for 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline is COc1ccc(/C=C/c2nc3ccccc3nc2/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline?
The InChIKey is SYIXBDFCOLPXSD-JYFOCSDGSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-29-21-13-7-19(8-14-21)11-17-25-26(28-24-6-4-3-5-23(24)27-25)18-12-20-9-15-22(30-2)16-10-20/h3-18H,1-2H3/b17-11+,18-12+.
What are the key properties of 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline?
2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline has a molecular weight of 394.47 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline is sourced from PubChem (CID 5473489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).