2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile

C17H15N3O — CID 82156967

IUPAC2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile
SMILESCC1Nc2ccccc2N(Cc2ccccc2C#N)C1=O
InChIInChI=1S/C17H15N3O/c1-12-17(21)20(16-9-5-4-8-15(16)19-12)11-14-7-3-2-6-13(14)10-18/h2-9,12,19H,11H2,1H3
InChIKeyUEYVAZFJGPUBFH-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.91
Rot. Bonds2

About 2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile

2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile (PubChem CID 82156967) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile
PubChem CID82156967
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile
SMILESCC1Nc2ccccc2N(Cc2ccccc2C#N)C1=O
InChIInChI=1S/C17H15N3O/c1-12-17(21)20(16-9-5-4-8-15(16)19-12)11-14-7-3-2-6-13(14)10-18/h2-9,12,19H,11H2,1H3
InChIKeyUEYVAZFJGPUBFH-UHFFFAOYSA-N
XLogP2.91
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile
CID 62875457
(3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one
CID 94764092
2-[(7-chloro-2-methyl-3-oxo-1,4-benzothiazin-4-yl)methyl]benzonitrile
CID 126471649
2-[(2,3-dioxoindol-1-yl)methyl]benzonitrile
CID 2205069
2-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]benzonitrile
CID 43165255
2-[[3-[(2-cyanophenyl)methyl]-4,5-dimethyl-2-oxoimidazol-1-yl]methyl]benzonitrile
CID 67586386
2-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 3984831
2-[[(4R)-4-methyl-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]benzonitrile
CID 94132515
2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 94819428
2-[(2,4,6-trioxo-1,3-diazinan-1-yl)methyl]benzonitrile
CID 118182749
2-[(7-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile
CID 93212054
N-(2,6-dimethylphenyl)-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetamide
CID 82156922

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile?
The IUPAC name of 2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile (CID 82156967) is 2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile is CC1Nc2ccccc2N(Cc2ccccc2C#N)C1=O.
What is the InChIKey of 2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile?
The InChIKey is UEYVAZFJGPUBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-17(21)20(16-9-5-4-8-15(16)19-12)11-14-7-3-2-6-13(14)10-18/h2-9,12,19H,11H2,1H3.
What are the key properties of 2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile?
2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile is sourced from PubChem (CID 82156967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).