6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

C25H29N3O4S — CID 23795791

IUPAC6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)C1
InChIInChI=1S/C25H29N3O4S/c1-17-12-18(2)16-28(15-17)33(31,32)20-8-9-23-21(13-20)24(29)22(14-27-23)25(30)26-11-10-19-6-4-3-5-7-19/h3-9,13-14,17-18H,10-12,15-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyCVDAPSALOXMUOB-UHFFFAOYSA-N
MW467.59 g/mol
LogP3.17
Rot. Bonds6

About 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (PubChem CID 23795791) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
PubChem CID23795791
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)C1
InChIInChI=1S/C25H29N3O4S/c1-17-12-18(2)16-28(15-17)33(31,32)20-8-9-23-21(13-20)24(29)22(14-27-23)25(30)26-11-10-19-6-4-3-5-7-19/h3-9,13-14,17-18H,10-12,15-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyCVDAPSALOXMUOB-UHFFFAOYSA-N
XLogP3.17
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 15995487
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 15999163
6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 3522985
4-oxo-N-(2-phenylethyl)-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide
CID 5210879
N-benzyl-6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859368
6-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide
CID 98463328
9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide
CID 43813773
6-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 4054888
6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide
CID 5216666
5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-1-benzofuran-2-carboxamide
CID 98460285
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3522692

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (CID 23795791) is 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is CC1CC(C)CN(S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)C1.
What is the InChIKey of 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is CVDAPSALOXMUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-17-12-18(2)16-28(15-17)33(31,32)20-8-9-23-21(13-20)24(29)22(14-27-23)25(30)26-11-10-19-6-4-3-5-7-19/h3-9,13-14,17-18H,10-12,15-16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 3.17, 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-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 23795791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).