4-(4-benzylpiperazin-1-yl)-7,8-dichloropyrrolo[1,2-a]quinoxaline

C22H20Cl2N4 — CID 10716537

IUPAC4-(4-benzylpiperazin-1-yl)-7,8-dichloropyrrolo[1,2-a]quinoxaline
SMILESClc1cc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2cc1Cl
InChIInChI=1S/C22H20Cl2N4/c23-17-13-19-21(14-18(17)24)28-8-4-7-20(28)22(25-19)27-11-9-26(10-12-27)15-16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2
InChIKeyAHIUBISCZNESPU-UHFFFAOYSA-N
MW411.34 g/mol
LogP5.12
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-7,8-dichloropyrrolo[1,2-a]quinoxaline

4-(4-benzylpiperazin-1-yl)-7,8-dichloropyrrolo[1,2-a]quinoxaline (PubChem CID 10716537) has the molecular formula C22H20Cl2N4 and a molecular weight of 411.34 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-7,8-dichloropyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-7,8-dichloropyrrolo[1,2-a]quinoxaline
PubChem CID10716537
Molecular FormulaC22H20Cl2N4
Molecular Weight411.34 g/mol
Exact Mass410.11
IUPAC Name4-(4-benzylpiperazin-1-yl)-7,8-dichloropyrrolo[1,2-a]quinoxaline
SMILESClc1cc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2cc1Cl
InChIInChI=1S/C22H20Cl2N4/c23-17-13-19-21(14-18(17)24)28-8-4-7-20(28)22(25-19)27-11-9-26(10-12-27)15-16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2
InChIKeyAHIUBISCZNESPU-UHFFFAOYSA-N
XLogP5.12
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.34
LogP ≤ 55.12
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)-7,8-dichloropyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-7,8-dichloropyrrolo[1,2-a]quinoxaline (CID 10716537) is 4-(4-benzylpiperazin-1-yl)-7,8-dichloropyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-7,8-dichloropyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-7,8-dichloropyrrolo[1,2-a]quinoxaline is Clc1cc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2cc1Cl.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-7,8-dichloropyrrolo[1,2-a]quinoxaline?
The InChIKey is AHIUBISCZNESPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4/c23-17-13-19-21(14-18(17)24)28-8-4-7-20(28)22(25-19)27-11-9-26(10-12-27)15-16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-7,8-dichloropyrrolo[1,2-a]quinoxaline?
4-(4-benzylpiperazin-1-yl)-7,8-dichloropyrrolo[1,2-a]quinoxaline has a molecular weight of 411.34 g/mol, XLogP of 5.12, 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)-7,8-dichloropyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10716537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).