4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide

C25H39N3O3S — CID 25189510

IUPAC4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide
SMILESCCCCc1cc(OC2CCN(CCCCS(=O)(=O)NCCC)CC2)c2ncccc2c1
InChIInChI=1S/C25H39N3O3S/c1-3-5-9-21-19-22-10-8-14-26-25(22)24(20-21)31-23-11-16-28(17-12-23)15-6-7-18-32(29,30)27-13-4-2/h8,10,14,19-20,23,27H,3-7,9,11-13,15-18H2,1-2H3
InChIKeyBFEIADQANSGVFP-UHFFFAOYSA-N
MW461.67 g/mol
LogP4.53
Rot. Bonds13

About 4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide

4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide (PubChem CID 25189510) has the molecular formula C25H39N3O3S and a molecular weight of 461.67 g/mol. Its IUPAC name is 4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide
PubChem CID25189510
Molecular FormulaC25H39N3O3S
Molecular Weight461.67 g/mol
Exact Mass461.27
IUPAC Name4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide
SMILESCCCCc1cc(OC2CCN(CCCCS(=O)(=O)NCCC)CC2)c2ncccc2c1
InChIInChI=1S/C25H39N3O3S/c1-3-5-9-21-19-22-10-8-14-26-25(22)24(20-21)31-23-11-16-28(17-12-23)15-6-7-18-32(29,30)27-13-4-2/h8,10,14,19-20,23,27H,3-7,9,11-13,15-18H2,1-2H3
InChIKeyBFEIADQANSGVFP-UHFFFAOYSA-N
XLogP4.53
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.67
LogP ≤ 54.53
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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide?
The IUPAC name of 4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide (CID 25189510) is 4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide.
What is the SMILES notation for 4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide?
The canonical SMILES for 4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide is CCCCc1cc(OC2CCN(CCCCS(=O)(=O)NCCC)CC2)c2ncccc2c1.
What is the InChIKey of 4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide?
The InChIKey is BFEIADQANSGVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O3S/c1-3-5-9-21-19-22-10-8-14-26-25(22)24(20-21)31-23-11-16-28(17-12-23)15-6-7-18-32(29,30)27-13-4-2/h8,10,14,19-20,23,27H,3-7,9,11-13,15-18H2,1-2H3.
What are the key properties of 4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide?
4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide has a molecular weight of 461.67 g/mol, XLogP of 4.53, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 25189510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).