2-ethoxy-4-methyl-8-methylsulfanylquinoline

C13H15NOS — CID 143158319

IUPAC2-ethoxy-4-methyl-8-methylsulfanylquinoline
SMILESCCOc1cc(C)c2cccc(SC)c2n1
InChIInChI=1S/C13H15NOS/c1-4-15-12-8-9(2)10-6-5-7-11(16-3)13(10)14-12/h5-8H,4H2,1-3H3
InChIKeyLBDKZLOCZVIBNX-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.66
Rot. Bonds3

About 2-ethoxy-4-methyl-8-methylsulfanylquinoline

2-ethoxy-4-methyl-8-methylsulfanylquinoline (PubChem CID 143158319) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-8-methylsulfanylquinoline.

Molecular Properties

Compound Name2-ethoxy-4-methyl-8-methylsulfanylquinoline
PubChem CID143158319
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-ethoxy-4-methyl-8-methylsulfanylquinoline
SMILESCCOc1cc(C)c2cccc(SC)c2n1
InChIInChI=1S/C13H15NOS/c1-4-15-12-8-9(2)10-6-5-7-11(16-3)13(10)14-12/h5-8H,4H2,1-3H3
InChIKeyLBDKZLOCZVIBNX-UHFFFAOYSA-N
XLogP3.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-8-methoxy-4-methylquinoline
CID 70328444
ethane;2-ethoxy-4-methylquinoline
CID 142037221
3-ethoxy-1-methylsulfanylisoquinoline
CID 119090129
8-bromo-2-ethoxy-4-propan-2-ylquinoline
CID 58755567
(2-ethoxy-3-methylsulfanylphenyl)methanol
CID 118269349
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-8-methylsulfanylquinoline
CID 23904953
6-ethoxy-3-(methoxymethoxy)-2,4-dimethylpyridine
CID 91192685
4-methylsulfanylphenanthridine
CID 56651512
ethene;1-methyl-5-methylsulfanylnaphthalene;propane
CID 165122097
2-(2,4-difluorophenoxy)-4,8-dimethylquinoline
CID 3838364
2-ethylsulfanyl-4,8-dimethylquinoline
CID 39774365
2-ethoxy-6-(1-methylsulfanylethyl)pyridine
CID 126590909

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-8-methylsulfanylquinoline?
The IUPAC name of 2-ethoxy-4-methyl-8-methylsulfanylquinoline (CID 143158319) is 2-ethoxy-4-methyl-8-methylsulfanylquinoline.
What is the SMILES notation for 2-ethoxy-4-methyl-8-methylsulfanylquinoline?
The canonical SMILES for 2-ethoxy-4-methyl-8-methylsulfanylquinoline is CCOc1cc(C)c2cccc(SC)c2n1.
What is the InChIKey of 2-ethoxy-4-methyl-8-methylsulfanylquinoline?
The InChIKey is LBDKZLOCZVIBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-4-15-12-8-9(2)10-6-5-7-11(16-3)13(10)14-12/h5-8H,4H2,1-3H3.
What are the key properties of 2-ethoxy-4-methyl-8-methylsulfanylquinoline?
2-ethoxy-4-methyl-8-methylsulfanylquinoline has a molecular weight of 233.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-8-methylsulfanylquinoline is sourced from PubChem (CID 143158319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).