2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid

C16H13NO2S — CID 753205

IUPAC2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)c3ccccc3n2)c(C)s1
InChIInChI=1S/C16H13NO2S/c1-9-7-12(10(2)20-9)15-8-13(16(18)19)11-5-3-4-6-14(11)17-15/h3-8H,1-2H3,(H,18,19)
InChIKeyDZKJAQDMHRFOIV-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.28
Rot. Bonds2

About 2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid

2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid (PubChem CID 753205) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid
PubChem CID753205
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)c3ccccc3n2)c(C)s1
InChIInChI=1S/C16H13NO2S/c1-9-7-12(10(2)20-9)15-8-13(16(18)19)11-5-3-4-6-14(11)17-15/h3-8H,1-2H3,(H,18,19)
InChIKeyDZKJAQDMHRFOIV-UHFFFAOYSA-N
XLogP4.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid (CID 753205) is 2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid is Cc1cc(-c2cc(C(=O)O)c3ccccc3n2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid?
The InChIKey is DZKJAQDMHRFOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-9-7-12(10(2)20-9)15-8-13(16(18)19)11-5-3-4-6-14(11)17-15/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid?
2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 753205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).