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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Related Compounds

8-(methylamino)quinoline-6-carboxylic acid
CID 170992656
8-sulfamoylquinoline-6-carboxylic acid
CID 50989782
4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
CID 24502180
2-chloro-5-(2-methoxypropylsulfonylamino)benzoic acid
CID 136537758
N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide
CID 110715599
5-[(6-methoxyquinolin-8-yl)sulfamoyl]furan-2-carboxylic acid
CID 69058052
N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 821430
8-(2-chloropropanoylamino)quinoline-6-carboxamide
CID 146098722
2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide
CID 110426620
8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid
CID 166267732
8-[(1-cyclobutylpyrazol-3-yl)methylamino]quinoline-6-carboxylic acid
CID 166275206
N-(6-methylquinolin-8-yl)methanesulfonamide
CID 110715581

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).