2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid

C16H12FNO2S — CID 5097101

IUPAC2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c3cccc(F)c3n2)s1
InChIInChI=1S/C16H12FNO2S/c1-2-9-6-7-14(21-9)13-8-11(16(19)20)10-4-3-5-12(17)15(10)18-13/h3-8H,2H2,1H3,(H,19,20)
InChIKeyVCKCWUGWQLJBFA-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.36
Rot. Bonds3

About 2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid

2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid (PubChem CID 5097101) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
PubChem CID5097101
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c3cccc(F)c3n2)s1
InChIInChI=1S/C16H12FNO2S/c1-2-9-6-7-14(21-9)13-8-11(16(19)20)10-4-3-5-12(17)15(10)18-13/h3-8H,2H2,1H3,(H,19,20)
InChIKeyVCKCWUGWQLJBFA-UHFFFAOYSA-N
XLogP4.36
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid (CID 5097101) is 2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid is CCc1ccc(-c2cc(C(=O)O)c3cccc(F)c3n2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid?
The InChIKey is VCKCWUGWQLJBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c1-2-9-6-7-14(21-9)13-8-11(16(19)20)10-4-3-5-12(17)15(10)18-13/h3-8H,2H2,1H3,(H,19,20).
What are the key properties of 2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid?
2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid is sourced from PubChem (CID 5097101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).