2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride

C17H25ClN2S — CID 171700204

IUPAC2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCSc1nc2cc(C)ccc2cc1C.Cl
InChIInChI=1S/C17H24N2S.ClH/c1-5-19(6-2)9-10-20-17-14(4)12-15-8-7-13(3)11-16(15)18-17;/h7-8,11-12H,5-6,9-10H2,1-4H3;1H
InChIKeyFJPQTCJOFHVOQE-UHFFFAOYSA-N
MW324.92 g/mol
LogP4.71
Rot. Bonds6

About 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride

2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride (PubChem CID 171700204) has the molecular formula C17H25ClN2S and a molecular weight of 324.92 g/mol. Its IUPAC name is 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride
PubChem CID171700204
Molecular FormulaC17H25ClN2S
Molecular Weight324.92 g/mol
Exact Mass324.14
IUPAC Name2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride
SMILESCCN(CC)CCSc1nc2cc(C)ccc2cc1C.Cl
InChIInChI=1S/C17H24N2S.ClH/c1-5-19(6-2)9-10-20-17-14(4)12-15-8-7-13(3)11-16(15)18-17;/h7-8,11-12H,5-6,9-10H2,1-4H3;1H
InChIKeyFJPQTCJOFHVOQE-UHFFFAOYSA-N
XLogP4.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.92
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride?
The IUPAC name of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride (CID 171700204) is 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride.
What is the SMILES notation for 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride?
The canonical SMILES for 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride is CCN(CC)CCSc1nc2cc(C)ccc2cc1C.Cl.
What is the InChIKey of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride?
The InChIKey is FJPQTCJOFHVOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S.ClH/c1-5-19(6-2)9-10-20-17-14(4)12-15-8-7-13(3)11-16(15)18-17;/h7-8,11-12H,5-6,9-10H2,1-4H3;1H.
What are the key properties of 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride?
2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride has a molecular weight of 324.92 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethylquinolin-2-yl)sulfanyl-N,N-diethylethanamine;hydrochloride is sourced from PubChem (CID 171700204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).