1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile

C13H17N3 — CID 84622146

IUPAC1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
SMILESCC(C)C1CN(C)c2ccc(C#N)cc2N1
InChIInChI=1S/C13H17N3/c1-9(2)12-8-16(3)13-5-4-10(7-14)6-11(13)15-12/h4-6,9,12,15H,8H2,1-3H3
InChIKeyGEBINQUTTHHOJL-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.44
Rot. Bonds1

About 1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile

1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile (PubChem CID 84622146) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
PubChem CID84622146
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
SMILESCC(C)C1CN(C)c2ccc(C#N)cc2N1
InChIInChI=1S/C13H17N3/c1-9(2)12-8-16(3)13-5-4-10(7-14)6-11(13)15-12/h4-6,9,12,15H,8H2,1-3H3
InChIKeyGEBINQUTTHHOJL-UHFFFAOYSA-N
XLogP2.44
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline
CID 84637015
3-chloro-4-(3-propan-2-ylpyrrolidin-1-yl)benzonitrile
CID 113417453
2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile
CID 70987182
3-methyl-1-propan-2-yl-2H-benzotriazole-5-carbonitrile
CID 134239726
1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117007200
7-cyano-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 84622763
1-methyl-3-oxo-4-propan-2-yl-2H-quinoxaline-6-carbonitrile
CID 117007061
4-piperidin-1-yl-3-propan-2-ylbenzonitrile
CID 84692083
3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile
CID 116837641
1-piperidin-4-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
CID 117031626
1-cyclohexyl-3,4-dihydro-2H-quinoxaline-6-carbonitrile
CID 117007237
3-methoxy-4-(3-methylazetidin-1-yl)benzonitrile
CID 104849244

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile?
The IUPAC name of 1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile (CID 84622146) is 1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile?
The canonical SMILES for 1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile is CC(C)C1CN(C)c2ccc(C#N)cc2N1.
What is the InChIKey of 1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile?
The InChIKey is GEBINQUTTHHOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9(2)12-8-16(3)13-5-4-10(7-14)6-11(13)15-12/h4-6,9,12,15H,8H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile?
1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 84622146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).