6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

C28H31F3N4O5S — CID 67383667

IUPAC6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
SMILESCNS(=O)(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCOCC4)CC3)c(C(=O)O)c2c1
InChIInChI=1S/C28H31F3N4O5S/c1-32-41(38,39)21-5-6-24-22(16-21)25(27(36)37)23(26(33-24)18-3-2-4-19(15-18)28(29,30)31)17-34-9-7-20(8-10-34)35-11-13-40-14-12-35/h2-6,15-16,20,32H,7-14,17H2,1H3,(H,36,37)
InChIKeyHRYWIOFGDKWTCG-UHFFFAOYSA-N
MW592.64 g/mol
LogP3.82
Rot. Bonds7

About 6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid (PubChem CID 67383667) has the molecular formula C28H31F3N4O5S and a molecular weight of 592.64 g/mol. Its IUPAC name is 6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
PubChem CID67383667
Molecular FormulaC28H31F3N4O5S
Molecular Weight592.64 g/mol
Exact Mass592.20
IUPAC Name6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
SMILESCNS(=O)(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCOCC4)CC3)c(C(=O)O)c2c1
InChIInChI=1S/C28H31F3N4O5S/c1-32-41(38,39)21-5-6-24-22(16-21)25(27(36)37)23(26(33-24)18-3-2-4-19(15-18)28(29,30)31)17-34-9-7-20(8-10-34)35-11-13-40-14-12-35/h2-6,15-16,20,32H,7-14,17H2,1H3,(H,36,37)
InChIKeyHRYWIOFGDKWTCG-UHFFFAOYSA-N
XLogP3.82
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.64
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid (CID 67383667) is 6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid is CNS(=O)(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)c(CN3CCC(N4CCOCC4)CC3)c(C(=O)O)c2c1.
What is the InChIKey of 6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The InChIKey is HRYWIOFGDKWTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N4O5S/c1-32-41(38,39)21-5-6-24-22(16-21)25(27(36)37)23(26(33-24)18-3-2-4-19(15-18)28(29,30)31)17-34-9-7-20(8-10-34)35-11-13-40-14-12-35/h2-6,15-16,20,32H,7-14,17H2,1H3,(H,36,37).
What are the key properties of 6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid has a molecular weight of 592.64 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylsulfamoyl)-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 67383667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).