8-methylsulfanyl-4-propan-2-ylquinoline

C13H15NS — CID 58755572

IUPAC8-methylsulfanyl-4-propan-2-ylquinoline
SMILESCSc1cccc2c(C(C)C)ccnc12
InChIInChI=1S/C13H15NS/c1-9(2)10-7-8-14-13-11(10)5-4-6-12(13)15-3/h4-9H,1-3H3
InChIKeyLCXDITUSOFYZIN-UHFFFAOYSA-N
MW217.34 g/mol
LogP4.08
Rot. Bonds2

About 8-methylsulfanyl-4-propan-2-ylquinoline

8-methylsulfanyl-4-propan-2-ylquinoline (PubChem CID 58755572) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 8-methylsulfanyl-4-propan-2-ylquinoline.

Molecular Properties

Compound Name8-methylsulfanyl-4-propan-2-ylquinoline
PubChem CID58755572
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name8-methylsulfanyl-4-propan-2-ylquinoline
SMILESCSc1cccc2c(C(C)C)ccnc12
InChIInChI=1S/C13H15NS/c1-9(2)10-7-8-14-13-11(10)5-4-6-12(13)15-3/h4-9H,1-3H3
InChIKeyLCXDITUSOFYZIN-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfanyl-4-propan-2-ylquinoline?
The IUPAC name of 8-methylsulfanyl-4-propan-2-ylquinoline (CID 58755572) is 8-methylsulfanyl-4-propan-2-ylquinoline.
What is the SMILES notation for 8-methylsulfanyl-4-propan-2-ylquinoline?
The canonical SMILES for 8-methylsulfanyl-4-propan-2-ylquinoline is CSc1cccc2c(C(C)C)ccnc12.
What is the InChIKey of 8-methylsulfanyl-4-propan-2-ylquinoline?
The InChIKey is LCXDITUSOFYZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-9(2)10-7-8-14-13-11(10)5-4-6-12(13)15-3/h4-9H,1-3H3.
What are the key properties of 8-methylsulfanyl-4-propan-2-ylquinoline?
8-methylsulfanyl-4-propan-2-ylquinoline has a molecular weight of 217.34 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfanyl-4-propan-2-ylquinoline is sourced from PubChem (CID 58755572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).