5,8-difluoro-3-methyl-4-phenylsulfanylquinoline

C16H11F2NS — CID 142826297

IUPAC5,8-difluoro-3-methyl-4-phenylsulfanylquinoline
SMILESCc1cnc2c(F)ccc(F)c2c1Sc1ccccc1
InChIInChI=1S/C16H11F2NS/c1-10-9-19-15-13(18)8-7-12(17)14(15)16(10)20-11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDWILQIFTBRNSCW-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.97
Rot. Bonds2

About 5,8-difluoro-3-methyl-4-phenylsulfanylquinoline

5,8-difluoro-3-methyl-4-phenylsulfanylquinoline (PubChem CID 142826297) has the molecular formula C16H11F2NS and a molecular weight of 287.33 g/mol. Its IUPAC name is 5,8-difluoro-3-methyl-4-phenylsulfanylquinoline.

Molecular Properties

Compound Name5,8-difluoro-3-methyl-4-phenylsulfanylquinoline
PubChem CID142826297
Molecular FormulaC16H11F2NS
Molecular Weight287.33 g/mol
Exact Mass287.06
IUPAC Name5,8-difluoro-3-methyl-4-phenylsulfanylquinoline
SMILESCc1cnc2c(F)ccc(F)c2c1Sc1ccccc1
InChIInChI=1S/C16H11F2NS/c1-10-9-19-15-13(18)8-7-12(17)14(15)16(10)20-11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyDWILQIFTBRNSCW-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-3-methyl-4-phenylsulfanylquinoline?
The IUPAC name of 5,8-difluoro-3-methyl-4-phenylsulfanylquinoline (CID 142826297) is 5,8-difluoro-3-methyl-4-phenylsulfanylquinoline.
What is the SMILES notation for 5,8-difluoro-3-methyl-4-phenylsulfanylquinoline?
The canonical SMILES for 5,8-difluoro-3-methyl-4-phenylsulfanylquinoline is Cc1cnc2c(F)ccc(F)c2c1Sc1ccccc1.
What is the InChIKey of 5,8-difluoro-3-methyl-4-phenylsulfanylquinoline?
The InChIKey is DWILQIFTBRNSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NS/c1-10-9-19-15-13(18)8-7-12(17)14(15)16(10)20-11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 5,8-difluoro-3-methyl-4-phenylsulfanylquinoline?
5,8-difluoro-3-methyl-4-phenylsulfanylquinoline has a molecular weight of 287.33 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-3-methyl-4-phenylsulfanylquinoline is sourced from PubChem (CID 142826297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).