4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline

C22H21ClN4 — CID 10619583

IUPAC4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline
SMILESClc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2c1
InChIInChI=1S/C22H21ClN4/c23-18-8-9-19-21(15-18)27-10-4-7-20(27)22(24-19)26-13-11-25(12-14-26)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2
InChIKeyYMQVTFAERCACRG-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.46
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline

4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline (PubChem CID 10619583) has the molecular formula C22H21ClN4 and a molecular weight of 376.89 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline
PubChem CID10619583
Molecular FormulaC22H21ClN4
Molecular Weight376.89 g/mol
Exact Mass376.15
IUPAC Name4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline
SMILESClc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2c1
InChIInChI=1S/C22H21ClN4/c23-18-8-9-19-21(15-18)27-10-4-7-20(27)22(24-19)26-13-11-25(12-14-26)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2
InChIKeyYMQVTFAERCACRG-UHFFFAOYSA-N
XLogP4.46
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline (CID 10619583) is 4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline is Clc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2c1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline?
The InChIKey is YMQVTFAERCACRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4/c23-18-8-9-19-21(15-18)27-10-4-7-20(27)22(24-19)26-13-11-25(12-14-26)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline?
4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline has a molecular weight of 376.89 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10619583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).