6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide

C26H31N3O4S — CID 6624382

IUPAC6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NC(C)CCc4ccccc4)c3c2)C1
InChIInChI=1S/C26H31N3O4S/c1-18-7-6-14-29(17-18)34(32,33)21-12-13-24-22(15-21)23(16-25(30)28-24)26(31)27-19(2)10-11-20-8-4-3-5-9-20/h3-5,8-9,12-13,15-16,18-19H,6-7,10-11,14,17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyMMCYSPTUXYBQMX-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.70
Rot. Bonds7

About 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide

6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide (PubChem CID 6624382) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide
PubChem CID6624382
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC Name6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NC(C)CCc4ccccc4)c3c2)C1
InChIInChI=1S/C26H31N3O4S/c1-18-7-6-14-29(17-18)34(32,33)21-12-13-24-22(15-21)23(16-25(30)28-24)26(31)27-19(2)10-11-20-8-4-3-5-9-20/h3-5,8-9,12-13,15-16,18-19H,6-7,10-11,14,17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyMMCYSPTUXYBQMX-UHFFFAOYSA-N
XLogP3.70
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide
CID 15999451
6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 3422172
N-[(2-methoxyphenyl)methyl]-6-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 92695948
N-[2-(cyclohexen-1-yl)ethyl]-6-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 42427772
N-[2-(cyclohexen-1-yl)ethyl]-6-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 40782973
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882575
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 28590537
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 92882514
2-[[6-(azepan-1-ylsulfonyl)-2-oxo-1H-quinoline-4-carbonyl]amino]ethyl-benzyl-methylazanium
CID 5086035
6-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide
CID 98463328
6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide
CID 92696194
6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-4-carboxamide
CID 98477613

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide?
The IUPAC name of 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide (CID 6624382) is 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide is CC1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NC(C)CCc4ccccc4)c3c2)C1.
What is the InChIKey of 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide?
The InChIKey is MMCYSPTUXYBQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-18-7-6-14-29(17-18)34(32,33)21-12-13-24-22(15-21)23(16-25(30)28-24)26(31)27-19(2)10-11-20-8-4-3-5-9-20/h3-5,8-9,12-13,15-16,18-19H,6-7,10-11,14,17H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide?
6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide has a molecular weight of 481.62 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide is sourced from PubChem (CID 6624382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).