6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid

C14H8FNO2S — CID 860395

IUPAC6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2ccc(F)cc12
InChIInChI=1S/C14H8FNO2S/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18)
InChIKeyNECNZILGZJOMGJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.80
Rot. Bonds2

About 6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid

6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid (PubChem CID 860395) has the molecular formula C14H8FNO2S and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid
PubChem CID860395
Molecular FormulaC14H8FNO2S
Molecular Weight273.29 g/mol
Exact Mass273.03
IUPAC Name6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)nc2ccc(F)cc12
InChIInChI=1S/C14H8FNO2S/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18)
InChIKeyNECNZILGZJOMGJ-UHFFFAOYSA-N
XLogP3.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid (CID 860395) is 6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccs2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid?
The InChIKey is NECNZILGZJOMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2S/c15-8-3-4-11-9(6-8)10(14(17)18)7-12(16-11)13-2-1-5-19-13/h1-7H,(H,17,18).
What are the key properties of 6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid?
6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-thiophen-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 860395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).