2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride

C12H14Cl2N4 — CID 12686417

IUPAC2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride
SMILESCl.Clc1nc2ccccc2nc1N1CCNCC1
InChIInChI=1S/C12H13ClN4.ClH/c13-11-12(17-7-5-14-6-8-17)16-10-4-2-1-3-9(10)15-11;/h1-4,14H,5-8H2;1H
InChIKeyXWOBHNWWNMXEOA-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.11
Rot. Bonds1

About 2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride

2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride (PubChem CID 12686417) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride.

Molecular Properties

Compound Name2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride
PubChem CID12686417
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride
SMILESCl.Clc1nc2ccccc2nc1N1CCNCC1
InChIInChI=1S/C12H13ClN4.ClH/c13-11-12(17-7-5-14-6-8-17)16-10-4-2-1-3-9(10)15-11;/h1-4,14H,5-8H2;1H
InChIKeyXWOBHNWWNMXEOA-UHFFFAOYSA-N
XLogP2.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Quinoxalinecarbonitrile, 3-(4-(2-propenyl)-1-piperazinyl)-
CID 3073499
Quinoxaline-2,3-diamine
CID 241488
5,12-Dihydroquinoxalino[2,3-B]quinoxaline
CID 616479
N-methylquinoxalin-2-amine
CID 351423
2-Methyl-3-(pyrrolidin-1-yl)quinoxaline
CID 238490
2-Chloro-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24278976
2-[[3-(2-Hydroxyethylamino)quinoxalin-2-yl]amino]ethanol
CID 2728525
3-Piperazin-1-yl-quinoxaline-2-carbonitrile
CID 9837630
2,3-Quinoxalinediamine, N,N'-diphenyl-
CID 467789
3-(Pyrrolidin-1-yl)quinoxalin-2-amine
CID 2041326
2-Chloro-3-(morpholin-4-yl)quinoxaline
CID 240828
2-Methyl-3-[2-(6-pyrrolidin-1-yl-pyridin-2-yl)-ethyl]-quinoxaline
CID 72706476

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride?
The IUPAC name of 2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride (CID 12686417) is 2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride.
What is the SMILES notation for 2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride?
The canonical SMILES for 2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride is Cl.Clc1nc2ccccc2nc1N1CCNCC1.
What is the InChIKey of 2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride?
The InChIKey is XWOBHNWWNMXEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4.ClH/c13-11-12(17-7-5-14-6-8-17)16-10-4-2-1-3-9(10)15-11;/h1-4,14H,5-8H2;1H.
What are the key properties of 2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride?
2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride has a molecular weight of 285.18 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-piperazin-1-ylquinoxaline;hydrochloride is sourced from PubChem (CID 12686417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).