N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride

C24H39Cl2N3O3S — CID 25164128

IUPACN-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride
SMILESCCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl
InChIInChI=1S/C24H37N3O3S.2ClH/c1-3-5-9-20-18-21-10-8-13-25-24(21)23(19-20)30-22-11-16-27(17-12-22)15-7-6-14-26-31(28,29)4-2;;/h8,10,13,18-19,22,26H,3-7,9,11-12,14-17H2,1-2H3;2*1H
InChIKeyZNVJJQWPIRYVED-UHFFFAOYSA-N
MW520.57 g/mol
LogP4.98
Rot. Bonds12

About N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride

N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride (PubChem CID 25164128) has the molecular formula C24H39Cl2N3O3S and a molecular weight of 520.57 g/mol. Its IUPAC name is N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride
PubChem CID25164128
Molecular FormulaC24H39Cl2N3O3S
Molecular Weight520.57 g/mol
Exact Mass519.21
IUPAC NameN-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride
SMILESCCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl
InChIInChI=1S/C24H37N3O3S.2ClH/c1-3-5-9-20-18-21-10-8-13-25-24(21)23(19-20)30-22-11-16-27(17-12-22)15-7-6-14-26-31(28,29)4-2;;/h8,10,13,18-19,22,26H,3-7,9,11-12,14-17H2,1-2H3;2*1H
InChIKeyZNVJJQWPIRYVED-UHFFFAOYSA-N
XLogP4.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide
CID 25189510
6-Butyl-8-[1-(3-tert-butylsulfonylpropyl)piperidin-4-yl]oxyquinoline
CID 25190195
6-Butyl-8-[1-(3-propan-2-ylsulfonylpropyl)piperidin-4-yl]oxyquinoline;dihydrochloride
CID 137662184
4-(Quinolinoxy)-3-pyridinesulfonamide
CID 45028568
4-(2-Methyl-8-quinolinoxy)-3-pyridinesulfonamide
CID 46703923
8-ethoxy-N-(4-fluorobenzyl)quinoline-5-sulfonamide
CID 3241189
N-tert-butyl-3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propane-1-sulfonamide;dihydrochloride
CID 137632738
N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]-N-methylethanesulfonamide;dihydrochloride
CID 137633326
N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]propane-1-sulfonamide;dihydrochloride
CID 137634700
N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]cyclohexanesulfonamide;dihydrochloride
CID 137643918
N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]-2-methylpropane-1-sulfonamide;dihydrochloride
CID 137646948
6-Butyl-8-[1-(3-propylsulfonylpropyl)piperidin-4-yl]oxyquinoline;dihydrochloride
CID 137647842

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride?
The IUPAC name of N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride (CID 25164128) is N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride.
What is the SMILES notation for N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride?
The canonical SMILES for N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride is CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl.
What is the InChIKey of N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride?
The InChIKey is ZNVJJQWPIRYVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3S.2ClH/c1-3-5-9-20-18-21-10-8-13-25-24(21)23(19-20)30-22-11-16-27(17-12-22)15-7-6-14-26-31(28,29)4-2;;/h8,10,13,18-19,22,26H,3-7,9,11-12,14-17H2,1-2H3;2*1H.
What are the key properties of N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride?
N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride has a molecular weight of 520.57 g/mol, XLogP of 4.98, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]ethanesulfonamide;dihydrochloride is sourced from PubChem (CID 25164128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).