4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline

C14H12FN3S — CID 118951932

IUPAC4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline
SMILESCSc1ccc2ncc(-c3cnn(C)c3)c(F)c2c1
InChIInChI=1S/C14H12FN3S/c1-18-8-9(6-17-18)12-7-16-13-4-3-10(19-2)5-11(13)14(12)15/h3-8H,1-2H3
InChIKeyOCDMWYJHUWECME-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.50
Rot. Bonds2

About 4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline

4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline (PubChem CID 118951932) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline.

Molecular Properties

Compound Name4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline
PubChem CID118951932
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline
SMILESCSc1ccc2ncc(-c3cnn(C)c3)c(F)c2c1
InChIInChI=1S/C14H12FN3S/c1-18-8-9(6-17-18)12-7-16-13-4-3-10(19-2)5-11(13)14(12)15/h3-8H,1-2H3
InChIKeyOCDMWYJHUWECME-UHFFFAOYSA-N
XLogP3.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline?
The IUPAC name of 4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline (CID 118951932) is 4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline.
What is the SMILES notation for 4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline?
The canonical SMILES for 4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline is CSc1ccc2ncc(-c3cnn(C)c3)c(F)c2c1.
What is the InChIKey of 4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline?
The InChIKey is OCDMWYJHUWECME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c1-18-8-9(6-17-18)12-7-16-13-4-3-10(19-2)5-11(13)14(12)15/h3-8H,1-2H3.
What are the key properties of 4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline?
4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline has a molecular weight of 273.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(1-methylpyrazol-4-yl)-6-methylsulfanylquinoline is sourced from PubChem (CID 118951932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).