3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile

C17H10N4 — CID 623059

IUPAC3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile
SMILESN#Cc1nc2ccccc2nc1C(C#N)c1ccccc1
InChIInChI=1S/C17H10N4/c18-10-13(12-6-2-1-3-7-12)17-16(11-19)20-14-8-4-5-9-15(14)21-17/h1-9,13H
InChIKeyMSEUWZQLVOEESI-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.16
Rot. Bonds2

About 3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile

3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile (PubChem CID 623059) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile.

Molecular Properties

Compound Name3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile
PubChem CID623059
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile
SMILESN#Cc1nc2ccccc2nc1C(C#N)c1ccccc1
InChIInChI=1S/C17H10N4/c18-10-13(12-6-2-1-3-7-12)17-16(11-19)20-14-8-4-5-9-15(14)21-17/h1-9,13H
InChIKeyMSEUWZQLVOEESI-UHFFFAOYSA-N
XLogP3.16
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile?
The IUPAC name of 3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile (CID 623059) is 3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile.
What is the SMILES notation for 3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile?
The canonical SMILES for 3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile is N#Cc1nc2ccccc2nc1C(C#N)c1ccccc1.
What is the InChIKey of 3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile?
The InChIKey is MSEUWZQLVOEESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4/c18-10-13(12-6-2-1-3-7-12)17-16(11-19)20-14-8-4-5-9-15(14)21-17/h1-9,13H.
What are the key properties of 3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile?
3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile has a molecular weight of 270.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile is sourced from PubChem (CID 623059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).