4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid

C13H14N2O4S — CID 63374041

IUPAC4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid
SMILESCS(=O)(=O)CCNc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C13H14N2O4S/c1-20(18,19)7-6-14-11-8-12(13(16)17)15-10-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyIMVHTRPUGKRLTO-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.39
Rot. Bonds5

About 4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid

4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid (PubChem CID 63374041) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid
PubChem CID63374041
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid
SMILESCS(=O)(=O)CCNc1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C13H14N2O4S/c1-20(18,19)7-6-14-11-8-12(13(16)17)15-10-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyIMVHTRPUGKRLTO-UHFFFAOYSA-N
XLogP1.39
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid?
The IUPAC name of 4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid (CID 63374041) is 4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid is CS(=O)(=O)CCNc1cc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid?
The InChIKey is IMVHTRPUGKRLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-20(18,19)7-6-14-11-8-12(13(16)17)15-10-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid?
4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 63374041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).