2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid

C16H10FNO2S — CID 4137615

IUPAC2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(Sc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C16H10FNO2S/c17-10-5-7-11(8-6-10)21-15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)
InChIKeyXYUQIVFGIFSMAV-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.22
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid

2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid (PubChem CID 4137615) has the molecular formula C16H10FNO2S and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid
PubChem CID4137615
Molecular FormulaC16H10FNO2S
Molecular Weight299.33 g/mol
Exact Mass299.04
IUPAC Name2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(Sc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C16H10FNO2S/c17-10-5-7-11(8-6-10)21-15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)
InChIKeyXYUQIVFGIFSMAV-UHFFFAOYSA-N
XLogP4.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid (CID 4137615) is 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid is O=C(O)c1cc(Sc2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid?
The InChIKey is XYUQIVFGIFSMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2S/c17-10-5-7-11(8-6-10)21-15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid?
2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanylquinoline-4-carboxylic acid is sourced from PubChem (CID 4137615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).