3-(3-fluorophenoxy)-2-methylsulfanylquinoline

C16H12FNOS — CID 129079815

IUPAC3-(3-fluorophenoxy)-2-methylsulfanylquinoline
SMILESCSc1nc2ccccc2cc1Oc1cccc(F)c1
InChIInChI=1S/C16H12FNOS/c1-20-16-15(19-13-7-4-6-12(17)10-13)9-11-5-2-3-8-14(11)18-16/h2-10H,1H3
InChIKeyFTNWUTJKGJMYNF-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.89
Rot. Bonds3

About 3-(3-fluorophenoxy)-2-methylsulfanylquinoline

3-(3-fluorophenoxy)-2-methylsulfanylquinoline (PubChem CID 129079815) has the molecular formula C16H12FNOS and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-2-methylsulfanylquinoline.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-2-methylsulfanylquinoline
PubChem CID129079815
Molecular FormulaC16H12FNOS
Molecular Weight285.34 g/mol
Exact Mass285.06
IUPAC Name3-(3-fluorophenoxy)-2-methylsulfanylquinoline
SMILESCSc1nc2ccccc2cc1Oc1cccc(F)c1
InChIInChI=1S/C16H12FNOS/c1-20-16-15(19-13-7-4-6-12(17)10-13)9-11-5-2-3-8-14(11)18-16/h2-10H,1H3
InChIKeyFTNWUTJKGJMYNF-UHFFFAOYSA-N
XLogP4.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-2-methylsulfanylquinoline?
The IUPAC name of 3-(3-fluorophenoxy)-2-methylsulfanylquinoline (CID 129079815) is 3-(3-fluorophenoxy)-2-methylsulfanylquinoline.
What is the SMILES notation for 3-(3-fluorophenoxy)-2-methylsulfanylquinoline?
The canonical SMILES for 3-(3-fluorophenoxy)-2-methylsulfanylquinoline is CSc1nc2ccccc2cc1Oc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenoxy)-2-methylsulfanylquinoline?
The InChIKey is FTNWUTJKGJMYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS/c1-20-16-15(19-13-7-4-6-12(17)10-13)9-11-5-2-3-8-14(11)18-16/h2-10H,1H3.
What are the key properties of 3-(3-fluorophenoxy)-2-methylsulfanylquinoline?
3-(3-fluorophenoxy)-2-methylsulfanylquinoline has a molecular weight of 285.34 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-2-methylsulfanylquinoline is sourced from PubChem (CID 129079815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).