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

C22H22N4 — CID 10617292

IUPAC4-(4-benzylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESc1ccc(CN2CCN(c3nc4ccccc4n4cccc34)CC2)cc1
InChIInChI=1S/C22H22N4/c1-2-7-18(8-3-1)17-24-13-15-25(16-14-24)22-21-11-6-12-26(21)20-10-5-4-9-19(20)23-22/h1-12H,13-17H2
InChIKeyPADMFNVKWGURLR-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.81
Rot. Bonds3

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

4-(4-benzylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (PubChem CID 10617292) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
PubChem CID10617292
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name4-(4-benzylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESc1ccc(CN2CCN(c3nc4ccccc4n4cccc34)CC2)cc1
InChIInChI=1S/C22H22N4/c1-2-7-18(8-3-1)17-24-13-15-25(16-14-24)22-21-11-6-12-26(21)20-10-5-4-9-19(20)23-22/h1-12H,13-17H2
InChIKeyPADMFNVKWGURLR-UHFFFAOYSA-N
XLogP3.81
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-benzylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (CID 10617292) is 4-(4-benzylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is c1ccc(CN2CCN(c3nc4ccccc4n4cccc34)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is PADMFNVKWGURLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-2-7-18(8-3-1)17-24-13-15-25(16-14-24)22-21-11-6-12-26(21)20-10-5-4-9-19(20)23-22/h1-12H,13-17H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
4-(4-benzylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 342.45 g/mol, XLogP of 3.81, 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)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10617292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).