2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid

C16H13NO2S — CID 753050

IUPAC2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c3ccccc3n2)s1
InChIInChI=1S/C16H13NO2S/c1-2-10-7-8-15(20-10)14-9-12(16(18)19)11-5-3-4-6-13(11)17-14/h3-9H,2H2,1H3,(H,18,19)
InChIKeyXXVQLZUJMHDGQT-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.22
Rot. Bonds3

About 2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid

2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid (PubChem CID 753050) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid
PubChem CID753050
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c3ccccc3n2)s1
InChIInChI=1S/C16H13NO2S/c1-2-10-7-8-15(20-10)14-9-12(16(18)19)11-5-3-4-6-13(11)17-14/h3-9H,2H2,1H3,(H,18,19)
InChIKeyXXVQLZUJMHDGQT-UHFFFAOYSA-N
XLogP4.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
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-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid (CID 753050) is 2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid is CCc1ccc(-c2cc(C(=O)O)c3ccccc3n2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid?
The InChIKey is XXVQLZUJMHDGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-2-10-7-8-15(20-10)14-9-12(16(18)19)11-5-3-4-6-13(11)17-14/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid?
2-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid has a molecular weight of 283.35 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-(5-ethylthiophen-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 753050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).