2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile

C15H16N2S — CID 4780146

IUPAC2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile
SMILESCc1cc(C)c2nc(SC(C)C#N)cc(C)c2c1
InChIInChI=1S/C15H16N2S/c1-9-5-11(3)15-13(6-9)10(2)7-14(17-15)18-12(4)8-16/h5-7,12H,1-4H3
InChIKeySNFJQZYBKKSSHA-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.16
Rot. Bonds2

About 2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile

2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile (PubChem CID 4780146) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile.

Molecular Properties

Compound Name2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile
PubChem CID4780146
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile
SMILESCc1cc(C)c2nc(SC(C)C#N)cc(C)c2c1
InChIInChI=1S/C15H16N2S/c1-9-5-11(3)15-13(6-9)10(2)7-14(17-15)18-12(4)8-16/h5-7,12H,1-4H3
InChIKeySNFJQZYBKKSSHA-UHFFFAOYSA-N
XLogP4.16
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile?
The IUPAC name of 2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile (CID 4780146) is 2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile.
What is the SMILES notation for 2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile?
The canonical SMILES for 2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile is Cc1cc(C)c2nc(SC(C)C#N)cc(C)c2c1.
What is the InChIKey of 2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile?
The InChIKey is SNFJQZYBKKSSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-9-5-11(3)15-13(6-9)10(2)7-14(17-15)18-12(4)8-16/h5-7,12H,1-4H3.
What are the key properties of 2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile?
2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile has a molecular weight of 256.37 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanenitrile is sourced from PubChem (CID 4780146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).