7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline

C16H16Cl2N4 — CID 10735500

IUPAC7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCN1CCN(c2nc3cc(Cl)c(Cl)cc3n3cccc23)CC1
InChIInChI=1S/C16H16Cl2N4/c1-20-5-7-21(8-6-20)16-14-3-2-4-22(14)15-10-12(18)11(17)9-13(15)19-16/h2-4,9-10H,5-8H2,1H3
InChIKeyOLJHULLSMFAXEX-UHFFFAOYSA-N
MW335.24 g/mol
LogP3.55
Rot. Bonds1

About 7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline

7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (PubChem CID 10735500) has the molecular formula C16H16Cl2N4 and a molecular weight of 335.24 g/mol. Its IUPAC name is 7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
PubChem CID10735500
Molecular FormulaC16H16Cl2N4
Molecular Weight335.24 g/mol
Exact Mass334.08
IUPAC Name7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCN1CCN(c2nc3cc(Cl)c(Cl)cc3n3cccc23)CC1
InChIInChI=1S/C16H16Cl2N4/c1-20-5-7-21(8-6-20)16-14-3-2-4-22(14)15-10-12(18)11(17)9-13(15)19-16/h2-4,9-10H,5-8H2,1H3
InChIKeyOLJHULLSMFAXEX-UHFFFAOYSA-N
XLogP3.55
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (CID 10735500) is 7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is CN1CCN(c2nc3cc(Cl)c(Cl)cc3n3cccc23)CC1.
What is the InChIKey of 7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is OLJHULLSMFAXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4/c1-20-5-7-21(8-6-20)16-14-3-2-4-22(14)15-10-12(18)11(17)9-13(15)19-16/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 335.24 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10735500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).