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

C24H34N4O4S — CID 15994470

IUPAC6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCCN3CCCCC3)c2c1
InChIInChI=1S/C24H34N4O4S/c1-18-8-3-6-15-28(18)33(31,32)19-9-10-22-20(16-19)21(17-23(29)26-22)24(30)25-11-7-14-27-12-4-2-5-13-27/h9-10,16-18H,2-8,11-15H2,1H3,(H,25,30)(H,26,29)
InChIKeyRVTRPVKPTAHJDM-UHFFFAOYSA-N
MW474.63 g/mol
LogP2.70
Rot. Bonds7

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

6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide (PubChem CID 15994470) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is 6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide
PubChem CID15994470
Molecular FormulaC24H34N4O4S
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC Name6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCCN3CCCCC3)c2c1
InChIInChI=1S/C24H34N4O4S/c1-18-8-3-6-15-28(18)33(31,32)19-9-10-22-20(16-19)21(17-23(29)26-22)24(30)25-11-7-14-27-12-4-2-5-13-27/h9-10,16-18H,2-8,11-15H2,1H3,(H,25,30)(H,26,29)
InChIKeyRVTRPVKPTAHJDM-UHFFFAOYSA-N
XLogP2.70
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 98339895
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 94850221
N-[3-(N-butylanilino)propyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 129448135
N-[3-[benzyl(butyl)amino]propyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 129448141
6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 118553851
6-(azepan-1-ylsulfonyl)-N-[3-(4-benzylpiperidin-1-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 46372035
N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 20967974
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
6-(azepan-1-ylsulfonyl)-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 15996678
6-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 20967793

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide?
The IUPAC name of 6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide (CID 15994470) is 6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide is CC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCCN3CCCCC3)c2c1.
What is the InChIKey of 6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide?
The InChIKey is RVTRPVKPTAHJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-18-8-3-6-15-28(18)33(31,32)19-9-10-22-20(16-19)21(17-23(29)26-22)24(30)25-11-7-14-27-12-4-2-5-13-27/h9-10,16-18H,2-8,11-15H2,1H3,(H,25,30)(H,26,29).
What are the key properties of 6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide?
6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide has a molecular weight of 474.63 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide is sourced from PubChem (CID 15994470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).