4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile

C22H12N4 — CID 921490

IUPAC4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1C#N
InChIInChI=1S/C22H12N4/c23-13-17-11-10-16(12-18(17)14-24)22-21(15-6-2-1-3-7-15)25-19-8-4-5-9-20(19)26-22/h1-12H
InChIKeyBLJNBHJAIHCKEO-UHFFFAOYSA-N
MW332.37 g/mol
LogP4.71
Rot. Bonds2

About 4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile

4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile (PubChem CID 921490) has the molecular formula C22H12N4 and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile
PubChem CID921490
Molecular FormulaC22H12N4
Molecular Weight332.37 g/mol
Exact Mass332.11
IUPAC Name4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1C#N
InChIInChI=1S/C22H12N4/c23-13-17-11-10-16(12-18(17)14-24)22-21(15-6-2-1-3-7-15)25-19-8-4-5-9-20(19)26-22/h1-12H
InChIKeyBLJNBHJAIHCKEO-UHFFFAOYSA-N
XLogP4.71
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 9181
CID 9181
CID 65149
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CID 94719
CID 94719
CID 23661671
CID 23661671
CID 2295348
CID 2295348
CID 74311
CID 74311
CID 9819282
CID 9819282
CID 16747725
CID 16747725
CID 44432676
CID 44432676
CID 44432677
CID 44432677
CID 616082
CID 616082
CID 616375
CID 616375

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile (CID 921490) is 4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile is N#Cc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1C#N.
What is the InChIKey of 4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile?
The InChIKey is BLJNBHJAIHCKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N4/c23-13-17-11-10-16(12-18(17)14-24)22-21(15-6-2-1-3-7-15)25-19-8-4-5-9-20(19)26-22/h1-12H.
What are the key properties of 4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile?
4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile has a molecular weight of 332.37 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylquinoxalin-2-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 921490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).