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

C22H21FN4 — CID 10594684

IUPAC4-(4-benzylpiperazin-1-yl)-7-fluoropyrrolo[1,2-a]quinoxaline
SMILESFc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn12
InChIInChI=1S/C22H21FN4/c23-18-8-9-20-19(15-18)24-22(21-7-4-10-27(20)21)26-13-11-25(12-14-26)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2
InChIKeyZMEPAGFWARRSBT-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.95
Rot. Bonds3

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

4-(4-benzylpiperazin-1-yl)-7-fluoropyrrolo[1,2-a]quinoxaline (PubChem CID 10594684) has the molecular formula C22H21FN4 and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-7-fluoropyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-7-fluoropyrrolo[1,2-a]quinoxaline
PubChem CID10594684
Molecular FormulaC22H21FN4
Molecular Weight360.44 g/mol
Exact Mass360.18
IUPAC Name4-(4-benzylpiperazin-1-yl)-7-fluoropyrrolo[1,2-a]quinoxaline
SMILESFc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn12
InChIInChI=1S/C22H21FN4/c23-18-8-9-20-19(15-18)24-22(21-7-4-10-27(20)21)26-13-11-25(12-14-26)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2
InChIKeyZMEPAGFWARRSBT-UHFFFAOYSA-N
XLogP3.95
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.95
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-fluoropyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-7-fluoropyrrolo[1,2-a]quinoxaline (CID 10594684) is 4-(4-benzylpiperazin-1-yl)-7-fluoropyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-7-fluoropyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-7-fluoropyrrolo[1,2-a]quinoxaline is Fc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn12.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-7-fluoropyrrolo[1,2-a]quinoxaline?
The InChIKey is ZMEPAGFWARRSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4/c23-18-8-9-20-19(15-18)24-22(21-7-4-10-27(20)21)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)-7-fluoropyrrolo[1,2-a]quinoxaline?
4-(4-benzylpiperazin-1-yl)-7-fluoropyrrolo[1,2-a]quinoxaline has a molecular weight of 360.44 g/mol, XLogP of 3.95, 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-fluoropyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10594684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).