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

C14H17Cl2N3S — CID 71639820

IUPAC2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride
SMILESCl.Clc1nc2ccccc2nc1SCC1CCCCN1
InChIInChI=1S/C14H16ClN3S.ClH/c15-13-14(19-9-10-5-3-4-8-16-10)18-12-7-2-1-6-11(12)17-13;/h1-2,6-7,10,16H,3-5,8-9H2;1H
InChIKeyVABHTKSCRQJVKX-UHFFFAOYSA-N
MW330.28 g/mol
LogP3.94
Rot. Bonds3

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

2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride (PubChem CID 71639820) has the molecular formula C14H17Cl2N3S and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride.

Molecular Properties

Compound Name2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride
PubChem CID71639820
Molecular FormulaC14H17Cl2N3S
Molecular Weight330.28 g/mol
Exact Mass329.05
IUPAC Name2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride
SMILESCl.Clc1nc2ccccc2nc1SCC1CCCCN1
InChIInChI=1S/C14H16ClN3S.ClH/c15-13-14(19-9-10-5-3-4-8-16-10)18-12-7-2-1-6-11(12)17-13;/h1-2,6-7,10,16H,3-5,8-9H2;1H
InChIKeyVABHTKSCRQJVKX-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-3-(piperidin-4-ylmethylsulfanyl)quinoxaline;hydrochloride
CID 71639828
3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 97164042
2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline
CID 71639761
4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline
CID 102820335
3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 97164043
3-chloro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine
CID 71640743
4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine
CID 97162664
2-phenyl-5-(piperidin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 71778033
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165179
3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine
CID 103204981
2-[(2-bromophenyl)methylsulfanylmethyl]piperidine
CID 115071035

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride?
The IUPAC name of 2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride (CID 71639820) is 2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride.
What is the SMILES notation for 2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride?
The canonical SMILES for 2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride is Cl.Clc1nc2ccccc2nc1SCC1CCCCN1.
What is the InChIKey of 2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride?
The InChIKey is VABHTKSCRQJVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S.ClH/c15-13-14(19-9-10-5-3-4-8-16-10)18-12-7-2-1-6-11(12)17-13;/h1-2,6-7,10,16H,3-5,8-9H2;1H.
What are the key properties of 2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride?
2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride has a molecular weight of 330.28 g/mol, XLogP of 3.94, 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-2-ylmethylsulfanyl)quinoxaline;hydrochloride is sourced from PubChem (CID 71639820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).