8-[(3-methylphenyl)methylsulfanyl]quinoline

C17H15NS — CID 1240113

IUPAC8-[(3-methylphenyl)methylsulfanyl]quinoline
SMILESCc1cccc(CSc2cccc3cccnc23)c1
InChIInChI=1S/C17H15NS/c1-13-5-2-6-14(11-13)12-19-16-9-3-7-15-8-4-10-18-17(15)16/h2-11H,12H2,1H3
InChIKeyITYHSNAOBNKVNB-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.84
Rot. Bonds3

About 8-[(3-methylphenyl)methylsulfanyl]quinoline

8-[(3-methylphenyl)methylsulfanyl]quinoline (PubChem CID 1240113) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is 8-[(3-methylphenyl)methylsulfanyl]quinoline.

Molecular Properties

Compound Name8-[(3-methylphenyl)methylsulfanyl]quinoline
PubChem CID1240113
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC Name8-[(3-methylphenyl)methylsulfanyl]quinoline
SMILESCc1cccc(CSc2cccc3cccnc23)c1
InChIInChI=1S/C17H15NS/c1-13-5-2-6-14(11-13)12-19-16-9-3-7-15-8-4-10-18-17(15)16/h2-11H,12H2,1H3
InChIKeyITYHSNAOBNKVNB-UHFFFAOYSA-N
XLogP4.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Methylquinoline
CID 11910
2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline
CID 122265
Quinoline, 8-ethyl-
CID 88185
3-(3-Thienyl)quinoline
CID 10242258
3-((E)-Styryl)-quinoline
CID 10243001
Ethanamine, N,N-dimethyl-2-((3-phenyl-2-quinolinyl)thio)-, hydrochloride (1:1)
CID 174433
Quinoline, 8,8'-dithiobis-
CID 70876
1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone
CID 975656
(2Z)-2-[(1-ethyl-8-methylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole iodide
CID 16192857
5,7-Dimethyl-3-thiophen-3-yl-quinoline
CID 10060170
7-Fluoro-3-thiophen-3-yl-quinoline
CID 10398928
5-Fluoro-3-thiophen-3-yl-quinoline
CID 10421346

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methylphenyl)methylsulfanyl]quinoline?
The IUPAC name of 8-[(3-methylphenyl)methylsulfanyl]quinoline (CID 1240113) is 8-[(3-methylphenyl)methylsulfanyl]quinoline.
What is the SMILES notation for 8-[(3-methylphenyl)methylsulfanyl]quinoline?
The canonical SMILES for 8-[(3-methylphenyl)methylsulfanyl]quinoline is Cc1cccc(CSc2cccc3cccnc23)c1.
What is the InChIKey of 8-[(3-methylphenyl)methylsulfanyl]quinoline?
The InChIKey is ITYHSNAOBNKVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/c1-13-5-2-6-14(11-13)12-19-16-9-3-7-15-8-4-10-18-17(15)16/h2-11H,12H2,1H3.
What are the key properties of 8-[(3-methylphenyl)methylsulfanyl]quinoline?
8-[(3-methylphenyl)methylsulfanyl]quinoline has a molecular weight of 265.38 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methylphenyl)methylsulfanyl]quinoline is sourced from PubChem (CID 1240113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).