2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile

C15H14N4 — CID 55236926

IUPAC2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile
SMILESCN1CCN(c2cc(C#N)ccn2)c2ccccc21
InChIInChI=1S/C15H14N4/c1-18-8-9-19(14-5-3-2-4-13(14)18)15-10-12(11-16)6-7-17-15/h2-7,10H,8-9H2,1H3
InChIKeyFAJZOQLEBZQSJY-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.54
Rot. Bonds1

About 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile

2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile (PubChem CID 55236926) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile
PubChem CID55236926
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile
SMILESCN1CCN(c2cc(C#N)ccn2)c2ccccc21
InChIInChI=1S/C15H14N4/c1-18-8-9-19(14-5-3-2-4-13(14)18)15-10-12(11-16)6-7-17-15/h2-7,10H,8-9H2,1H3
InChIKeyFAJZOQLEBZQSJY-UHFFFAOYSA-N
XLogP2.54
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile (CID 55236926) is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile is CN1CCN(c2cc(C#N)ccn2)c2ccccc21.
What is the InChIKey of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile?
The InChIKey is FAJZOQLEBZQSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-18-8-9-19(14-5-3-2-4-13(14)18)15-10-12(11-16)6-7-17-15/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile?
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile has a molecular weight of 250.31 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 55236926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).