2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid

C17H20N2O4S — CID 136542722

IUPAC2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCCC1C(C(=O)O)CCN1S(=O)(=O)c1c(C)ccc2cccnc12
InChIInChI=1S/C17H20N2O4S/c1-3-14-13(17(20)21)8-10-19(14)24(22,23)16-11(2)6-7-12-5-4-9-18-15(12)16/h4-7,9,13-14H,3,8,10H2,1-2H3,(H,20,21)
InChIKeyCUAFETMMHIPOOQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.42
Rot. Bonds4

About 2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid

2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 136542722) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID136542722
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCCC1C(C(=O)O)CCN1S(=O)(=O)c1c(C)ccc2cccnc12
InChIInChI=1S/C17H20N2O4S/c1-3-14-13(17(20)21)8-10-19(14)24(22,23)16-11(2)6-7-12-5-4-9-18-15(12)16/h4-7,9,13-14H,3,8,10H2,1-2H3,(H,20,21)
InChIKeyCUAFETMMHIPOOQ-UHFFFAOYSA-N
XLogP2.42
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid (CID 136542722) is 2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid is CCC1C(C(=O)O)CCN1S(=O)(=O)c1c(C)ccc2cccnc12.
What is the InChIKey of 2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is CUAFETMMHIPOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-14-13(17(20)21)8-10-19(14)24(22,23)16-11(2)6-7-12-5-4-9-18-15(12)16/h4-7,9,13-14H,3,8,10H2,1-2H3,(H,20,21).
What are the key properties of 2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid?
2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 348.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(7-methylquinolin-8-yl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136542722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).