6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride

C24H38Cl2N2O3S — CID 131728650

IUPAC6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride
SMILESCCCCc1cc(OC2CCN(CCS(=O)(=O)C(C)(C)C)CC2)c2ncccc2c1.Cl.Cl
InChIInChI=1S/C24H36N2O3S.2ClH/c1-5-6-8-19-17-20-9-7-12-25-23(20)22(18-19)29-21-10-13-26(14-11-21)15-16-30(27,28)24(2,3)4;;/h7,9,12,17-18,21H,5-6,8,10-11,13-16H2,1-4H3;2*1H
InChIKeyFGPYMTNNFRFLLF-UHFFFAOYSA-N
MW505.55 g/mol
LogP5.48
Rot. Bonds8

About 6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride

6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride (PubChem CID 131728650) has the molecular formula C24H38Cl2N2O3S and a molecular weight of 505.55 g/mol. Its IUPAC name is 6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride.

Molecular Properties

Compound Name6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride
PubChem CID131728650
Molecular FormulaC24H38Cl2N2O3S
Molecular Weight505.55 g/mol
Exact Mass504.20
IUPAC Name6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride
SMILESCCCCc1cc(OC2CCN(CCS(=O)(=O)C(C)(C)C)CC2)c2ncccc2c1.Cl.Cl
InChIInChI=1S/C24H36N2O3S.2ClH/c1-5-6-8-19-17-20-9-7-12-25-23(20)22(18-19)29-21-10-13-26(14-11-21)15-16-30(27,28)24(2,3)4;;/h7,9,12,17-18,21H,5-6,8,10-11,13-16H2,1-4H3;2*1H
InChIKeyFGPYMTNNFRFLLF-UHFFFAOYSA-N
XLogP5.48
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.55
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid
CID 66921929
N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide
CID 25263959
N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]propanamide
CID 25265646
N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide
CID 25265214
1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 131739801
N-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]cyclohexanecarboxamide
CID 25265356
N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide
CID 25264924
2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate
CID 68732155
(3R)-1-tert-butyl-3-(6-butylquinolin-8-yl)oxypyrrolidin-1-ium-1-carboxylic acid
CID 68729880
6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline
CID 68788537
8-[1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperidin-4-yl]oxyquinoline
CID 46870849
6-butylquinolin-8-ol
CID 130033187

Frequently Asked Questions

What is the IUPAC name of 6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride?
The IUPAC name of 6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride (CID 131728650) is 6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride.
What is the SMILES notation for 6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride?
The canonical SMILES for 6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride is CCCCc1cc(OC2CCN(CCS(=O)(=O)C(C)(C)C)CC2)c2ncccc2c1.Cl.Cl.
What is the InChIKey of 6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride?
The InChIKey is FGPYMTNNFRFLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3S.2ClH/c1-5-6-8-19-17-20-9-7-12-25-23(20)22(18-19)29-21-10-13-26(14-11-21)15-16-30(27,28)24(2,3)4;;/h7,9,12,17-18,21H,5-6,8,10-11,13-16H2,1-4H3;2*1H.
What are the key properties of 6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride?
6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride has a molecular weight of 505.55 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-8-[1-(2-tert-butylsulfonylethyl)piperidin-4-yl]oxyquinoline;dihydrochloride is sourced from PubChem (CID 131728650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).