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

C22H21FN4 — CID 10546440

IUPAC4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFc1ccc(CN2CCN(c3nc4ccccc4n4cccc34)CC2)cc1
InChIInChI=1S/C22H21FN4/c23-18-9-7-17(8-10-18)16-25-12-14-26(15-13-25)22-21-6-3-11-27(21)20-5-2-1-4-19(20)24-22/h1-11H,12-16H2
InChIKeyAASFRXJJHSMTFI-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.95
Rot. Bonds3

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

4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (PubChem CID 10546440) has the molecular formula C22H21FN4 and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
PubChem CID10546440
Molecular FormulaC22H21FN4
Molecular Weight360.44 g/mol
Exact Mass360.18
IUPAC Name4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFc1ccc(CN2CCN(c3nc4ccccc4n4cccc34)CC2)cc1
InChIInChI=1S/C22H21FN4/c23-18-9-7-17(8-10-18)16-25-12-14-26(15-13-25)22-21-6-3-11-27(21)20-5-2-1-4-19(20)24-22/h1-11H,12-16H2
InChIKeyAASFRXJJHSMTFI-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-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (CID 10546440) is 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is Fc1ccc(CN2CCN(c3nc4ccccc4n4cccc34)CC2)cc1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is AASFRXJJHSMTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4/c23-18-9-7-17(8-10-18)16-25-12-14-26(15-13-25)22-21-6-3-11-27(21)20-5-2-1-4-19(20)24-22/h1-11H,12-16H2.
What are the key properties of 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[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-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10546440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).