4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid

C22H22N2O4S — CID 170048281

IUPAC4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2cc(C(=O)O)ccc12
InChIInChI=1S/C22H22N2O4S/c1-15-13-20(23-21-14-17(22(25)26)7-10-19(15)21)16-5-8-18(9-6-16)29(27,28)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,26)
InChIKeyDFTKMUTXLWZNSC-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.08
Rot. Bonds4

About 4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid

4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid (PubChem CID 170048281) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid
PubChem CID170048281
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid
SMILESCc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2cc(C(=O)O)ccc12
InChIInChI=1S/C22H22N2O4S/c1-15-13-20(23-21-14-17(22(25)26)7-10-19(15)21)16-5-8-18(9-6-16)29(27,28)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,26)
InChIKeyDFTKMUTXLWZNSC-UHFFFAOYSA-N
XLogP4.08
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)-4-methylquinoline-7-carboxylate
CID 170046934
2-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224682
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
2-[2,6-difluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]sulfonylphenyl]-4-methylquinoline-7-carboxylic acid
CID 170048024
2-[2-fluoro-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-4-methylquinoline-7-carboxylic acid
CID 170048283
4-(azepan-1-ylsulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1191189
N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 39850616
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
7-(2-fluoro-6-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-5-methylquinoline-2-carboxylic acid
CID 170047821
3-chloro-5-(4-piperidin-1-ylsulfonylphenyl)benzoic acid
CID 53229074
3-fluoro-5-(4-piperidin-1-ylsulfonylphenyl)benzoic acid
CID 53229065

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid?
The IUPAC name of 4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid (CID 170048281) is 4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid?
The canonical SMILES for 4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid is Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid?
The InChIKey is DFTKMUTXLWZNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-15-13-20(23-21-14-17(22(25)26)7-10-19(15)21)16-5-8-18(9-6-16)29(27,28)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,26).
What are the key properties of 4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid?
4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid has a molecular weight of 410.50 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-piperidin-1-ylsulfonylphenyl)quinoline-7-carboxylic acid is sourced from PubChem (CID 170048281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).