3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline

C16H17ClN4 — CID 67625625

IUPAC3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCN1CCN(c2cccc3c2ncc2c(Cl)ccn23)CC1
InChIInChI=1S/C16H17ClN4/c1-19-7-9-20(10-8-19)13-3-2-4-14-16(13)18-11-15-12(17)5-6-21(14)15/h2-6,11H,7-10H2,1H3
InChIKeyFAXHWGNGXRRWQF-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.89
Rot. Bonds1

About 3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline

3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (PubChem CID 67625625) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
PubChem CID67625625
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCN1CCN(c2cccc3c2ncc2c(Cl)ccn23)CC1
InChIInChI=1S/C16H17ClN4/c1-19-7-9-20(10-8-19)13-3-2-4-14-16(13)18-11-15-12(17)5-6-21(14)15/h2-6,11H,7-10H2,1H3
InChIKeyFAXHWGNGXRRWQF-UHFFFAOYSA-N
XLogP2.89
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (CID 67625625) is 3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is CN1CCN(c2cccc3c2ncc2c(Cl)ccn23)CC1.
What is the InChIKey of 3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is FAXHWGNGXRRWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-19-7-9-20(10-8-19)13-3-2-4-14-16(13)18-11-15-12(17)5-6-21(14)15/h2-6,11H,7-10H2,1H3.
What are the key properties of 3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 300.79 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 67625625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).