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

C23H23FN4O — CID 10452995

IUPAC4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline
SMILESCOc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn12
InChIInChI=1S/C23H23FN4O/c1-29-19-8-9-21-20(15-19)25-23(22-3-2-10-28(21)22)27-13-11-26(12-14-27)16-17-4-6-18(24)7-5-17/h2-10,15H,11-14,16H2,1H3
InChIKeyACSDLURGGYXLSE-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.96
Rot. Bonds4

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

4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline (PubChem CID 10452995) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline
PubChem CID10452995
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline
SMILESCOc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn12
InChIInChI=1S/C23H23FN4O/c1-29-19-8-9-21-20(15-19)25-23(22-3-2-10-28(21)22)27-13-11-26(12-14-27)16-17-4-6-18(24)7-5-17/h2-10,15H,11-14,16H2,1H3
InChIKeyACSDLURGGYXLSE-UHFFFAOYSA-N
XLogP3.96
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline with MolForge

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CID 42630317
6,8-Dimethoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline
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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline (CID 10452995) is 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline is COc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn12.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline?
The InChIKey is ACSDLURGGYXLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-29-19-8-9-21-20(15-19)25-23(22-3-2-10-28(21)22)27-13-11-26(12-14-27)16-17-4-6-18(24)7-5-17/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline?
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline has a molecular weight of 390.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-methoxypyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10452995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).