4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile

C22H12N4O — CID 676369

IUPAC4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1C#N
InChIInChI=1S/C22H12N4O/c23-12-16-7-10-19(11-17(16)13-24)27-18-8-5-15(6-9-18)22-14-25-20-3-1-2-4-21(20)26-22/h1-11,14H
InChIKeyIAIXMAGERSFZMA-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.83
Rot. Bonds3

About 4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile

4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile (PubChem CID 676369) has the molecular formula C22H12N4O and a molecular weight of 348.37 g/mol. Its IUPAC name is 4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile
PubChem CID676369
Molecular FormulaC22H12N4O
Molecular Weight348.37 g/mol
Exact Mass348.10
IUPAC Name4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1C#N
InChIInChI=1S/C22H12N4O/c23-12-16-7-10-19(11-17(16)13-24)27-18-8-5-15(6-9-18)22-14-25-20-3-1-2-4-21(20)26-22/h1-11,14H
InChIKeyIAIXMAGERSFZMA-UHFFFAOYSA-N
XLogP4.83
TPSA82.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile?
The IUPAC name of 4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile (CID 676369) is 4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile is N#Cc1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1C#N.
What is the InChIKey of 4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile?
The InChIKey is IAIXMAGERSFZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N4O/c23-12-16-7-10-19(11-17(16)13-24)27-18-8-5-15(6-9-18)22-14-25-20-3-1-2-4-21(20)26-22/h1-11,14H.
What are the key properties of 4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile?
4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile has a molecular weight of 348.37 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 676369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).