2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride

C17H25ClN2S — CID 13200223

IUPAC2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride
SMILESCCCCc1cc2ccccc2nc1SCCN(C)C.Cl
InChIInChI=1S/C17H24N2S.ClH/c1-4-5-8-15-13-14-9-6-7-10-16(14)18-17(15)20-12-11-19(2)3;/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3;1H
InChIKeyUZETXSUFZLSCCL-UHFFFAOYSA-N
MW324.92 g/mol
LogP4.65
Rot. Bonds7

About 2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride

2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride (PubChem CID 13200223) has the molecular formula C17H25ClN2S and a molecular weight of 324.92 g/mol. Its IUPAC name is 2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride
PubChem CID13200223
Molecular FormulaC17H25ClN2S
Molecular Weight324.92 g/mol
Exact Mass324.14
IUPAC Name2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride
SMILESCCCCc1cc2ccccc2nc1SCCN(C)C.Cl
InChIInChI=1S/C17H24N2S.ClH/c1-4-5-8-15-13-14-9-6-7-10-16(14)18-17(15)20-12-11-19(2)3;/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3;1H
InChIKeyUZETXSUFZLSCCL-UHFFFAOYSA-N
XLogP4.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.92
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride (CID 13200223) is 2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride is CCCCc1cc2ccccc2nc1SCCN(C)C.Cl.
What is the InChIKey of 2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride?
The InChIKey is UZETXSUFZLSCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S.ClH/c1-4-5-8-15-13-14-9-6-7-10-16(14)18-17(15)20-12-11-19(2)3;/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3;1H.
What are the key properties of 2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride?
2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride has a molecular weight of 324.92 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 13200223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).