6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride

C13H16Cl2N4 — CID 12686452

IUPAC6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride
SMILESCN1CCN(c2cnc3cc(Cl)ccc3n2)CC1.Cl
InChIInChI=1S/C13H15ClN4.ClH/c1-17-4-6-18(7-5-17)13-9-15-12-8-10(14)2-3-11(12)16-13;/h2-3,8-9H,4-7H2,1H3;1H
InChIKeyXSPITUBXSBDWTH-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.46
Rot. Bonds1

About 6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride

6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride (PubChem CID 12686452) has the molecular formula C13H16Cl2N4 and a molecular weight of 299.20 g/mol. Its IUPAC name is 6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride.

Molecular Properties

Compound Name6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride
PubChem CID12686452
Molecular FormulaC13H16Cl2N4
Molecular Weight299.20 g/mol
Exact Mass298.08
IUPAC Name6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride
SMILESCN1CCN(c2cnc3cc(Cl)ccc3n2)CC1.Cl
InChIInChI=1S/C13H15ClN4.ClH/c1-17-4-6-18(7-5-17)13-9-15-12-8-10(14)2-3-11(12)16-13;/h2-3,8-9H,4-7H2,1H3;1H
InChIKeyXSPITUBXSBDWTH-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Falnidamol
CID 6918508
6-Chloroquinoxaline
CID 79534
2,6-Dichloroquinoxaline
CID 87748
Pyrazine-Pyridine Biheteroaryl 40
CID 5330369
Pyrazine-Pyridine Biheteroaryl 41
CID 5330389
Bibx 1382 dihydrochloride
CID 46861540
4-(4-Methyl-piperazin-1-yl)-pyrrolo[1,2-a]quinoline
CID 10378253
4-(4-Benzylpiperazin-1-yl)-7-chloropyrrolo[1,2-a]quinoxaline
CID 10738329
2-Chloro-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24278976
2,7-Dichloroquinoxaline
CID 2758223
Pyrazine-Pyridine Biheteroaryl 51
CID 5330379
6-(5-aminopyridin-3-yl)-N-(3-chlorophenyl)pyrazin-2-amine
CID 5330367

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride?
The IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride (CID 12686452) is 6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride.
What is the SMILES notation for 6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride?
The canonical SMILES for 6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride is CN1CCN(c2cnc3cc(Cl)ccc3n2)CC1.Cl.
What is the InChIKey of 6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride?
The InChIKey is XSPITUBXSBDWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4.ClH/c1-17-4-6-18(7-5-17)13-9-15-12-8-10(14)2-3-11(12)16-13;/h2-3,8-9H,4-7H2,1H3;1H.
What are the key properties of 6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride?
6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride has a molecular weight of 299.20 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride is sourced from PubChem (CID 12686452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).