6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride

C18H25ClN2O2S — CID 118741857

IUPAC6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride
SMILESCOc1cc2cc(C)c(SCCN3CCCC3)nc2cc1OC.Cl
InChIInChI=1S/C18H24N2O2S.ClH/c1-13-10-14-11-16(21-2)17(22-3)12-15(14)19-18(13)23-9-8-20-6-4-5-7-20;/h10-12H,4-9H2,1-3H3;1H
InChIKeyWRERRVGYFLOYBH-UHFFFAOYSA-N
MW368.93 g/mol
LogP4.17
Rot. Bonds6

About 6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride

6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride (PubChem CID 118741857) has the molecular formula C18H25ClN2O2S and a molecular weight of 368.93 g/mol. Its IUPAC name is 6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride
PubChem CID118741857
Molecular FormulaC18H25ClN2O2S
Molecular Weight368.93 g/mol
Exact Mass368.13
IUPAC Name6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride
SMILESCOc1cc2cc(C)c(SCCN3CCCC3)nc2cc1OC.Cl
InChIInChI=1S/C18H24N2O2S.ClH/c1-13-10-14-11-16(21-2)17(22-3)12-15(14)19-18(13)23-9-8-20-6-4-5-7-20;/h10-12H,4-9H2,1-3H3;1H
InChIKeyWRERRVGYFLOYBH-UHFFFAOYSA-N
XLogP4.17
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride?
The IUPAC name of 6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride (CID 118741857) is 6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride is COc1cc2cc(C)c(SCCN3CCCC3)nc2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride?
The InChIKey is WRERRVGYFLOYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S.ClH/c1-13-10-14-11-16(21-2)17(22-3)12-15(14)19-18(13)23-9-8-20-6-4-5-7-20;/h10-12H,4-9H2,1-3H3;1H.
What are the key properties of 6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride?
6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride has a molecular weight of 368.93 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride is sourced from PubChem (CID 118741857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).