3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid

C12H12N2O5S — CID 43342300

IUPAC3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid
SMILESNS(=O)(=O)c1ccc(OCCC(=O)O)c2ncccc12
InChIInChI=1S/C12H12N2O5S/c13-20(17,18)10-4-3-9(19-7-5-11(15)16)12-8(10)2-1-6-14-12/h1-4,6H,5,7H2,(H,15,16)(H2,13,17,18)
InChIKeyRLDLTLYREZFBKJ-UHFFFAOYSA-N
MW296.30 g/mol
LogP0.74
Rot. Bonds5

About 3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid

3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid (PubChem CID 43342300) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is 3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid.

Molecular Properties

Compound Name3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid
PubChem CID43342300
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC Name3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid
SMILESNS(=O)(=O)c1ccc(OCCC(=O)O)c2ncccc12
InChIInChI=1S/C12H12N2O5S/c13-20(17,18)10-4-3-9(19-7-5-11(15)16)12-8(10)2-1-6-14-12/h1-4,6H,5,7H2,(H,15,16)(H2,13,17,18)
InChIKeyRLDLTLYREZFBKJ-UHFFFAOYSA-N
XLogP0.74
TPSA119.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chlorosulfonylquinolin-8-yl)oxypropanoic acid
CID 43115657
8-(3-fluoropropoxy)quinoline-5-sulfonamide
CID 81113157
8-phenylmethoxyquinoline-5-sulfonamide
CID 60758024
8-[(E)-but-2-enoxy]quinoline-5-sulfonamide
CID 82921921
8-(2,2,2-trifluoroethoxy)quinoline-5-sulfonamide
CID 43164351
5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide
CID 103045343
5-but-3-ynoxyquinoline-8-sulfonamide
CID 103045310
4-(2,3-dimethyl-4-sulfamoylphenoxy)butanoic acid
CID 43342347
2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid
CID 99988195
8-Ethoxy-5-quinolinesulfonic acid sodium salt monohydrate
CID 45157436
4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide
CID 114473017
8-(3-ethoxypropoxy)quinoline-5-sulfonyl chloride
CID 65176470

Frequently Asked Questions

What is the IUPAC name of 3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid?
The IUPAC name of 3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid (CID 43342300) is 3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid.
What is the SMILES notation for 3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid?
The canonical SMILES for 3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid is NS(=O)(=O)c1ccc(OCCC(=O)O)c2ncccc12.
What is the InChIKey of 3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid?
The InChIKey is RLDLTLYREZFBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S/c13-20(17,18)10-4-3-9(19-7-5-11(15)16)12-8(10)2-1-6-14-12/h1-4,6H,5,7H2,(H,15,16)(H2,13,17,18).
What are the key properties of 3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid?
3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid has a molecular weight of 296.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid is sourced from PubChem (CID 43342300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).