2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide

C24H27N3O3S — CID 18277170

IUPAC2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)c2c1
InChIInChI=1S/C24H27N3O3S/c1-16-7-10-22-20(13-16)21(14-18(3)25-22)24(28)26-23-15-19(9-8-17(23)2)31(29,30)27-11-5-4-6-12-27/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,26,28)
InChIKeyAELOOUOTUDRFOV-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.59
Rot. Bonds4

About 2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide

2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide (PubChem CID 18277170) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
PubChem CID18277170
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)c2c1
InChIInChI=1S/C24H27N3O3S/c1-16-7-10-22-20(13-16)21(14-18(3)25-22)24(28)26-23-15-19(9-8-17(23)2)31(29,30)27-11-5-4-6-12-27/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,26,28)
InChIKeyAELOOUOTUDRFOV-UHFFFAOYSA-N
XLogP4.59
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 108802533
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 9454137
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide
CID 55466253
2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 51126593
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 26909307
N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43853676

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide (CID 18277170) is 2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)c2c1.
What is the InChIKey of 2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
The InChIKey is AELOOUOTUDRFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-16-7-10-22-20(13-16)21(14-18(3)25-22)24(28)26-23-15-19(9-8-17(23)2)31(29,30)27-11-5-4-6-12-27/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,26,28).
What are the key properties of 2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 18277170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).