6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide

C22H31N3O4S — CID 15999163

IUPAC6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)CCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1=O
InChIInChI=1S/C22H31N3O4S/c1-14(2)7-8-23-22(27)19-11-24-20-6-5-17(10-18(20)21(19)26)30(28,29)25-12-15(3)9-16(4)13-25/h5-6,10-11,14-16H,7-9,12-13H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyMKZMWQMSVKBEKU-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.97
Rot. Bonds6

About 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide

6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 15999163) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID15999163
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)CCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1=O
InChIInChI=1S/C22H31N3O4S/c1-14(2)7-8-23-22(27)19-11-24-20-6-5-17(10-18(20)21(19)26)30(28,29)25-12-15(3)9-16(4)13-25/h5-6,10-11,14-16H,7-9,12-13H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyMKZMWQMSVKBEKU-UHFFFAOYSA-N
XLogP2.97
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 23795791
6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 15995487
6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3522692
6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473151
6-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)-2-oxo-1H-quinoline-4-carboxamide
CID 22427069
N-(3-aminobutyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 119499240
6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 3236136
N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859368
2-bromo-N-(3-methylbutyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26253332
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 3237700
6-(azepan-1-ylsulfonyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-4-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 98211122
2-(4-bromophenyl)sulfanyl-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-heptylbenzamide
CID 98362955

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide (CID 15999163) is 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide is CC(C)CCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1=O.
What is the InChIKey of 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is MKZMWQMSVKBEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-14(2)7-8-23-22(27)19-11-24-20-6-5-17(10-18(20)21(19)26)30(28,29)25-12-15(3)9-16(4)13-25/h5-6,10-11,14-16H,7-9,12-13H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 433.57 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 15999163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).