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

C16H16N4 — CID 63778250

IUPAC6-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCN(C)c3ccccc32)n1
InChIInChI=1S/C16H16N4/c1-12-7-8-13(11-17)16(18-12)20-10-9-19(2)14-5-3-4-6-15(14)20/h3-8H,9-10H2,1-2H3
InChIKeyZPYCORSLPIQRBA-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.85
Rot. Bonds1

About 6-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile

6-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile (PubChem CID 63778250) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile
PubChem CID63778250
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name6-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCN(C)c3ccccc32)n1
InChIInChI=1S/C16H16N4/c1-12-7-8-13(11-17)16(18-12)20-10-9-19(2)14-5-3-4-6-15(14)20/h3-8H,9-10H2,1-2H3
InChIKeyZPYCORSLPIQRBA-UHFFFAOYSA-N
XLogP2.85
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile (CID 63778250) is 6-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CCN(C)c3ccccc32)n1.
What is the InChIKey of 6-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile?
The InChIKey is ZPYCORSLPIQRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-12-7-8-13(11-17)16(18-12)20-10-9-19(2)14-5-3-4-6-15(14)20/h3-8H,9-10H2,1-2H3.
What are the key properties of 6-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile?
6-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 63778250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).