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

C16H13N3O — CID 62875457

IUPAC2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1CN1C(=O)CNc2ccccc21
InChIInChI=1S/C16H13N3O/c17-9-12-5-1-2-6-13(12)11-19-15-8-4-3-7-14(15)18-10-16(19)20/h1-8,18H,10-11H2
InChIKeyGLTPROBWQNOQLQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.52
Rot. Bonds2

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

2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile (PubChem CID 62875457) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile
PubChem CID62875457
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1CN1C(=O)CNc2ccccc21
InChIInChI=1S/C16H13N3O/c17-9-12-5-1-2-6-13(12)11-19-15-8-4-3-7-14(15)18-10-16(19)20/h1-8,18H,10-11H2
InChIKeyGLTPROBWQNOQLQ-UHFFFAOYSA-N
XLogP2.52
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile?
The IUPAC name of 2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile (CID 62875457) is 2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile is N#Cc1ccccc1CN1C(=O)CNc2ccccc21.
What is the InChIKey of 2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile?
The InChIKey is GLTPROBWQNOQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-9-12-5-1-2-6-13(12)11-19-15-8-4-3-7-14(15)18-10-16(19)20/h1-8,18H,10-11H2.
What are the key properties of 2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile?
2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile is sourced from PubChem (CID 62875457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).