2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride

C14H17Cl2N3S — CID 71639828

IUPAC2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride
SMILESCl.Clc1nc2ccccc2nc1SCC1CCNCC1
InChIInChI=1S/C14H16ClN3S.ClH/c15-13-14(19-9-10-5-7-16-8-6-10)18-12-4-2-1-3-11(12)17-13;/h1-4,10,16H,5-9H2;1H
InChIKeyFMAZUTJIZZLOPJ-UHFFFAOYSA-N
MW330.28 g/mol
LogP3.80
Rot. Bonds3

About 2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride

2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride (PubChem CID 71639828) has the molecular formula C14H17Cl2N3S and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride.

Molecular Properties

Compound Name2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride
PubChem CID71639828
Molecular FormulaC14H17Cl2N3S
Molecular Weight330.28 g/mol
Exact Mass329.05
IUPAC Name2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride
SMILESCl.Clc1nc2ccccc2nc1SCC1CCNCC1
InChIInChI=1S/C14H16ClN3S.ClH/c15-13-14(19-9-10-5-7-16-8-6-10)18-12-4-2-1-3-11(12)17-13;/h1-4,10,16H,5-9H2;1H
InChIKeyFMAZUTJIZZLOPJ-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride
CID 71639820
2-chloro-3-(piperidin-4-ylmethoxy)quinoxaline
CID 71640763
2-chloro-3-[(3R)-pyrrolidin-3-yl]sulfanylquinoxaline
CID 71639811
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79702363
2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
CID 97163529
2-chloro-3-(pyrrolidin-3-ylmethyl)quinoline
CID 116985205
4-(phenylsulfanylmethyl)azepane
CID 105478503
2-methylsulfanyl-4-(piperidin-4-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71643270
[2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol
CID 63835635
2-chloro-3-piperidin-4-ylsulfonylquinoxaline
CID 71639759
3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine
CID 62370752
N-[(2-chloroquinolin-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 63301282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride?
The IUPAC name of 2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride (CID 71639828) is 2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride.
What is the SMILES notation for 2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride?
The canonical SMILES for 2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride is Cl.Clc1nc2ccccc2nc1SCC1CCNCC1.
What is the InChIKey of 2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride?
The InChIKey is FMAZUTJIZZLOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S.ClH/c15-13-14(19-9-10-5-7-16-8-6-10)18-12-4-2-1-3-11(12)17-13;/h1-4,10,16H,5-9H2;1H.
What are the key properties of 2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride?
2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride has a molecular weight of 330.28 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride is sourced from PubChem (CID 71639828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).