8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride

C18H22ClN3S — CID 6603496

IUPAC8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride
SMILESCc1cccc2cc(C#N)c(SCCN3CCCCC3)nc12.Cl
InChIInChI=1S/C18H21N3S.ClH/c1-14-6-5-7-15-12-16(13-19)18(20-17(14)15)22-11-10-21-8-3-2-4-9-21;/h5-7,12H,2-4,8-11H2,1H3;1H
InChIKeyUUMGCUSERRNLJL-UHFFFAOYSA-N
MW347.92 g/mol
LogP4.41
Rot. Bonds4

About 8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride

8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride (PubChem CID 6603496) has the molecular formula C18H22ClN3S and a molecular weight of 347.92 g/mol. Its IUPAC name is 8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride
PubChem CID6603496
Molecular FormulaC18H22ClN3S
Molecular Weight347.92 g/mol
Exact Mass347.12
IUPAC Name8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride
SMILESCc1cccc2cc(C#N)c(SCCN3CCCCC3)nc12.Cl
InChIInChI=1S/C18H21N3S.ClH/c1-14-6-5-7-15-12-16(13-19)18(20-17(14)15)22-11-10-21-8-3-2-4-9-21;/h5-7,12H,2-4,8-11H2,1H3;1H
InChIKeyUUMGCUSERRNLJL-UHFFFAOYSA-N
XLogP4.41
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.92
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline
CID 122265
Ethanamine, N,N-dimethyl-2-((3-phenyl-2-quinolinyl)thio)-, hydrochloride (1:1)
CID 174433
6-methyl-2-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 1201888
Quinolinium, 1-ethyl-2-(ethylthio)-, iodide (1:1)
CID 2827528
2-(2-Dimethylaminoethylthio)-3-isopropylquinoline hydrochloride
CID 3028230
2-(2-Methylaminoethylthio)-3-phenylquinoline hydrochloride
CID 13200208
3-(p-Cyanophenyl)-2-(2-dimethylaminoethylthio)quinoline hydrochloride
CID 13200256
2-(3-Phenylquinolin-2-yl)sulfanylethanamine;hydrochloride
CID 13200274
N,N-diethyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride
CID 13200279
Quinoline, 2-((2-(dimethylamino)ethyl)thio)-4-phenyl-, monohydrochloride
CID 357522
2-(Pyridin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
CID 648350
(3,7-Dimethyl-quinolin-2-ylsulfanyl)-acetonitrile
CID 649377

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride?
The IUPAC name of 8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride (CID 6603496) is 8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride.
What is the SMILES notation for 8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride?
The canonical SMILES for 8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride is Cc1cccc2cc(C#N)c(SCCN3CCCCC3)nc12.Cl.
What is the InChIKey of 8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride?
The InChIKey is UUMGCUSERRNLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S.ClH/c1-14-6-5-7-15-12-16(13-19)18(20-17(14)15)22-11-10-21-8-3-2-4-9-21;/h5-7,12H,2-4,8-11H2,1H3;1H.
What are the key properties of 8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride?
8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride has a molecular weight of 347.92 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile;hydrochloride is sourced from PubChem (CID 6603496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).