6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide

C24H33N3O4S — CID 5323312

IUPAC6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC3CCCCC3C)c2c1
InChIInChI=1S/C24H33N3O4S/c1-3-17-9-6-7-13-27(17)32(30,31)18-11-12-22-19(14-18)20(15-23(28)25-22)24(29)26-21-10-5-4-8-16(21)2/h11-12,14-17,21H,3-10,13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyLTPWVPNXUUQRSF-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.79
Rot. Bonds5

About 6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide

6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 5323312) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID5323312
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC3CCCCC3C)c2c1
InChIInChI=1S/C24H33N3O4S/c1-3-17-9-6-7-13-27(17)32(30,31)18-11-12-22-19(14-18)20(15-23(28)25-22)24(29)26-21-10-5-4-8-16(21)2/h11-12,14-17,21H,3-10,13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyLTPWVPNXUUQRSF-UHFFFAOYSA-N
XLogP3.79
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-6-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 98364991
6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 118553851
6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide
CID 15994470
6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide
CID 92696195
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
N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 20967974
N-[3-(N-butylanilino)propyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 129448135
N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
5-(2-ethylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110604707
N-[3-[benzyl(butyl)amino]propyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 129448141
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 94850221

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide (CID 5323312) is 6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide is CCC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC3CCCCC3C)c2c1.
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is LTPWVPNXUUQRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-3-17-9-6-7-13-27(17)32(30,31)18-11-12-22-19(14-18)20(15-23(28)25-22)24(29)26-21-10-5-4-8-16(21)2/h11-12,14-17,21H,3-10,13H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide?
6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 459.61 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 5323312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).