4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline

C23H23FN4 — CID 10571450

IUPAC4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline
SMILESCc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn12
InChIInChI=1S/C23H23FN4/c1-17-4-9-21-20(15-17)25-23(22-3-2-10-28(21)22)27-13-11-26(12-14-27)16-18-5-7-19(24)8-6-18/h2-10,15H,11-14,16H2,1H3
InChIKeyJUSBDZIBILCYFG-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.26
Rot. Bonds3

About 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline

4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline (PubChem CID 10571450) has the molecular formula C23H23FN4 and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline
PubChem CID10571450
Molecular FormulaC23H23FN4
Molecular Weight374.46 g/mol
Exact Mass374.19
IUPAC Name4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline
SMILESCc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn12
InChIInChI=1S/C23H23FN4/c1-17-4-9-21-20(15-17)25-23(22-3-2-10-28(21)22)27-13-11-26(12-14-27)16-18-5-7-19(24)8-6-18/h2-10,15H,11-14,16H2,1H3
InChIKeyJUSBDZIBILCYFG-UHFFFAOYSA-N
XLogP4.26
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline (CID 10571450) is 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline is Cc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn12.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline?
The InChIKey is JUSBDZIBILCYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4/c1-17-4-9-21-20(15-17)25-23(22-3-2-10-28(21)22)27-13-11-26(12-14-27)16-18-5-7-19(24)8-6-18/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline?
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline has a molecular weight of 374.46 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10571450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).