2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline

C22H13Cl3N2O — CID 19590672

IUPAC2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline
SMILESClc1ccc(Oc2nc3ccccc3nc2/C=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H13Cl3N2O/c23-15-8-10-17(11-9-15)28-22-21(26-19-3-1-2-4-20(19)27-22)12-6-14-5-7-16(24)13-18(14)25/h1-13H/b12-6+
InChIKeyXLVLYPIQGRRCNC-WUXMJOGZSA-N
MW427.72 g/mol
LogP7.55
Rot. Bonds4

About 2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline

2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline (PubChem CID 19590672) has the molecular formula C22H13Cl3N2O and a molecular weight of 427.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline
PubChem CID19590672
Molecular FormulaC22H13Cl3N2O
Molecular Weight427.72 g/mol
Exact Mass426.01
IUPAC Name2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline
SMILESClc1ccc(Oc2nc3ccccc3nc2/C=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H13Cl3N2O/c23-15-8-10-17(11-9-15)28-22-21(26-19-3-1-2-4-20(19)27-22)12-6-14-5-7-16(24)13-18(14)25/h1-13H/b12-6+
InChIKeyXLVLYPIQGRRCNC-WUXMJOGZSA-N
XLogP7.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.72
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline?
The IUPAC name of 2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline (CID 19590672) is 2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline?
The canonical SMILES for 2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline is Clc1ccc(Oc2nc3ccccc3nc2/C=C/c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline?
The InChIKey is XLVLYPIQGRRCNC-WUXMJOGZSA-N. The full InChI is InChI=1S/C22H13Cl3N2O/c23-15-8-10-17(11-9-15)28-22-21(26-19-3-1-2-4-20(19)27-22)12-6-14-5-7-16(24)13-18(14)25/h1-13H/b12-6+.
What are the key properties of 2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline?
2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline has a molecular weight of 427.72 g/mol, XLogP of 7.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-3-[(E)-2-(2,4-dichlorophenyl)ethenyl]quinoxaline is sourced from PubChem (CID 19590672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).