2-ethylsulfanyl-4,8-dimethylquinoline

C13H15NS — CID 39774365

IUPAC2-ethylsulfanyl-4,8-dimethylquinoline
SMILESCCSc1cc(C)c2cccc(C)c2n1
InChIInChI=1S/C13H15NS/c1-4-15-12-8-10(3)11-7-5-6-9(2)13(11)14-12/h5-8H,4H2,1-3H3
InChIKeyFGXBLTBUXFDCMD-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.96
Rot. Bonds2

About 2-ethylsulfanyl-4,8-dimethylquinoline

2-ethylsulfanyl-4,8-dimethylquinoline (PubChem CID 39774365) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-ethylsulfanyl-4,8-dimethylquinoline.

Molecular Properties

Compound Name2-ethylsulfanyl-4,8-dimethylquinoline
PubChem CID39774365
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name2-ethylsulfanyl-4,8-dimethylquinoline
SMILESCCSc1cc(C)c2cccc(C)c2n1
InChIInChI=1S/C13H15NS/c1-4-15-12-8-10(3)11-7-5-6-9(2)13(11)14-12/h5-8H,4H2,1-3H3
InChIKeyFGXBLTBUXFDCMD-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722
4,8-dimethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]quinoline
CID 39774376
2-(1H-benzimidazol-2-ylmethylsulfanyl)-4,8-dimethylquinoline
CID 39766346
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40529800
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967
2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 2556642
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(4,8-dimethylquinolin-2-yl)sulfanylethanone
CID 2500167
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7363859
(4,8-dimethylquinolin-2-yl)methanamine
CID 82573614
3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one
CID 8883016
2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide
CID 9456581
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 7363691

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4,8-dimethylquinoline?
The IUPAC name of 2-ethylsulfanyl-4,8-dimethylquinoline (CID 39774365) is 2-ethylsulfanyl-4,8-dimethylquinoline.
What is the SMILES notation for 2-ethylsulfanyl-4,8-dimethylquinoline?
The canonical SMILES for 2-ethylsulfanyl-4,8-dimethylquinoline is CCSc1cc(C)c2cccc(C)c2n1.
What is the InChIKey of 2-ethylsulfanyl-4,8-dimethylquinoline?
The InChIKey is FGXBLTBUXFDCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-4-15-12-8-10(3)11-7-5-6-9(2)13(11)14-12/h5-8H,4H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-4,8-dimethylquinoline?
2-ethylsulfanyl-4,8-dimethylquinoline has a molecular weight of 217.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4,8-dimethylquinoline is sourced from PubChem (CID 39774365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).