5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline

C13H14FNS — CID 134416551

IUPAC5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline
SMILESCSc1ccc2nc(C(C)C)ccc2c1F
InChIInChI=1S/C13H14FNS/c1-8(2)10-5-4-9-11(15-10)6-7-12(16-3)13(9)14/h4-8H,1-3H3
InChIKeyDHBQOWMHSIBFNG-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.22
Rot. Bonds2

About 5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline

5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline (PubChem CID 134416551) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline.

Molecular Properties

Compound Name5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline
PubChem CID134416551
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline
SMILESCSc1ccc2nc(C(C)C)ccc2c1F
InChIInChI=1S/C13H14FNS/c1-8(2)10-5-4-9-11(15-10)6-7-12(16-3)13(9)14/h4-8H,1-3H3
InChIKeyDHBQOWMHSIBFNG-UHFFFAOYSA-N
XLogP4.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline?
The IUPAC name of 5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline (CID 134416551) is 5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline.
What is the SMILES notation for 5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline?
The canonical SMILES for 5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline is CSc1ccc2nc(C(C)C)ccc2c1F.
What is the InChIKey of 5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline?
The InChIKey is DHBQOWMHSIBFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-8(2)10-5-4-9-11(15-10)6-7-12(16-3)13(9)14/h4-8H,1-3H3.
What are the key properties of 5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline?
5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline has a molecular weight of 235.33 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methylsulfanyl-2-propan-2-ylquinoline is sourced from PubChem (CID 134416551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).