2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline

C16H9Br2ClN2 — CID 10598419

IUPAC2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline
SMILESClc1ccc(/C(Br)=C(\Br)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H9Br2ClN2/c17-15(10-5-7-11(19)8-6-10)16(18)14-9-20-12-3-1-2-4-13(12)21-14/h1-9H/b16-15+
InChIKeyCTUUCQFZGCQWSH-FOCLMDBBSA-N
MW424.52 g/mol
LogP5.90
Rot. Bonds2

About 2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline

2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline (PubChem CID 10598419) has the molecular formula C16H9Br2ClN2 and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline.

Molecular Properties

Compound Name2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline
PubChem CID10598419
Molecular FormulaC16H9Br2ClN2
Molecular Weight424.52 g/mol
Exact Mass421.88
IUPAC Name2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline
SMILESClc1ccc(/C(Br)=C(\Br)c2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H9Br2ClN2/c17-15(10-5-7-11(19)8-6-10)16(18)14-9-20-12-3-1-2-4-13(12)21-14/h1-9H/b16-15+
InChIKeyCTUUCQFZGCQWSH-FOCLMDBBSA-N
XLogP5.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline?
The IUPAC name of 2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline (CID 10598419) is 2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline.
What is the SMILES notation for 2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline?
The canonical SMILES for 2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline is Clc1ccc(/C(Br)=C(\Br)c2cnc3ccccc3n2)cc1.
What is the InChIKey of 2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline?
The InChIKey is CTUUCQFZGCQWSH-FOCLMDBBSA-N. The full InChI is InChI=1S/C16H9Br2ClN2/c17-15(10-5-7-11(19)8-6-10)16(18)14-9-20-12-3-1-2-4-13(12)21-14/h1-9H/b16-15+.
What are the key properties of 2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline?
2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline has a molecular weight of 424.52 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,2-dibromo-2-(4-chlorophenyl)ethenyl]quinoxaline is sourced from PubChem (CID 10598419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).