8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid

C14H16N2O5S — CID 167792756

IUPAC8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid
SMILESCOC(C)CS(=O)(=O)Nc1cc(C(=O)O)cc2cccnc12
InChIInChI=1S/C14H16N2O5S/c1-9(21-2)8-22(19,20)16-12-7-11(14(17)18)6-10-4-3-5-15-13(10)12/h3-7,9,16H,8H2,1-2H3,(H,17,18)
InChIKeyOIUFQODQTVHPSN-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.71
Rot. Bonds6

About 8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid

8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid (PubChem CID 167792756) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is 8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid
PubChem CID167792756
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Name8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid
SMILESCOC(C)CS(=O)(=O)Nc1cc(C(=O)O)cc2cccnc12
InChIInChI=1S/C14H16N2O5S/c1-9(21-2)8-22(19,20)16-12-7-11(14(17)18)6-10-4-3-5-15-13(10)12/h3-7,9,16H,8H2,1-2H3,(H,17,18)
InChIKeyOIUFQODQTVHPSN-UHFFFAOYSA-N
XLogP1.71
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid?
The IUPAC name of 8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid (CID 167792756) is 8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid.
What is the SMILES notation for 8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid?
The canonical SMILES for 8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid is COC(C)CS(=O)(=O)Nc1cc(C(=O)O)cc2cccnc12.
What is the InChIKey of 8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid?
The InChIKey is OIUFQODQTVHPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-9(21-2)8-22(19,20)16-12-7-11(14(17)18)6-10-4-3-5-15-13(10)12/h3-7,9,16H,8H2,1-2H3,(H,17,18).
What are the key properties of 8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid?
8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid has a molecular weight of 324.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxypropylsulfonylamino)quinoline-6-carboxylic acid is sourced from PubChem (CID 167792756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).