2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile

C24H19N3 — CID 139631641

IUPAC2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile
SMILESCCc1nc2ccccc2nc1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C24H19N3/c1-2-21-24(27-23-10-6-5-9-22(23)26-21)15-17-11-13-18(14-12-17)20-8-4-3-7-19(20)16-25/h3-14H,2,15H2,1H3
InChIKeyQNVPWCBGUHTWJV-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.32
Rot. Bonds4

About 2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile

2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile (PubChem CID 139631641) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile
PubChem CID139631641
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile
SMILESCCc1nc2ccccc2nc1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C24H19N3/c1-2-21-24(27-23-10-6-5-9-22(23)26-21)15-17-11-13-18(14-12-17)20-8-4-3-7-19(20)16-25/h3-14H,2,15H2,1H3
InChIKeyQNVPWCBGUHTWJV-UHFFFAOYSA-N
XLogP5.32
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-ethyl-2-methyl-6-oxo-1-phenylpyrimidin-5-yl)methyl]phenyl]benzonitrile
CID 57460478
2-[4-[(4-butyl-2-methyl-1,3-thiazol-5-yl)methyl]phenyl]benzonitrile
CID 57143138
[4-(2-cyanophenyl)phenyl]methylazanium
CID 34364496
2-[4-[(6-oxo-2,4-dipropyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile
CID 135503723
2-[4-[[4-(hydroxymethyl)-2-methyl-6-oxo-1H-pyrimidin-5-yl]methyl]phenyl]benzonitrile
CID 136614714
2-[4-[[bis[[4-(2-cyanophenyl)phenyl]methyl]amino]methyl]phenyl]benzonitrile
CID 90994167
2-[4-[(2-ethyl-6-oxo-1-phenyl-4-propylpyrimidin-5-yl)methyl]phenyl]benzonitrile
CID 57460356
2-[4-[(2-amino-4-butyl-6-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile
CID 135703306
2-[4-[(4-butyl-6-ethenyl-2-methylpyrimidin-5-yl)methyl]phenyl]benzonitrile
CID 67941130
2-[4-[[4-chloro-2-(methoxymethyl)-6-propylpyrimidin-5-yl]methyl]phenyl]benzonitrile
CID 10408172
2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 67943643
2-[4-[(7-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl)methyl]phenyl]benzonitrile
CID 10383445

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile (CID 139631641) is 2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile is CCc1nc2ccccc2nc1Cc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of 2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile?
The InChIKey is QNVPWCBGUHTWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-2-21-24(27-23-10-6-5-9-22(23)26-21)15-17-11-13-18(14-12-17)20-8-4-3-7-19(20)16-25/h3-14H,2,15H2,1H3.
What are the key properties of 2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile?
2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile has a molecular weight of 349.44 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethylquinoxalin-2-yl)methyl]phenyl]benzonitrile is sourced from PubChem (CID 139631641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).