7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

C20H21FN6 — CID 44542078

IUPAC7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFc1ccc2c(c1)nc(N1CCN(CCn3ccnc3)CC1)c1cccn12
InChIInChI=1S/C20H21FN6/c21-16-3-4-18-17(14-16)23-20(19-2-1-6-27(18)19)26-12-10-24(11-13-26)8-9-25-7-5-22-15-25/h1-7,14-15H,8-13H2
InChIKeyASQVLAWCAVGHRV-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.65
Rot. Bonds4

About 7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (PubChem CID 44542078) has the molecular formula C20H21FN6 and a molecular weight of 364.43 g/mol. Its IUPAC name is 7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
PubChem CID44542078
Molecular FormulaC20H21FN6
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFc1ccc2c(c1)nc(N1CCN(CCn3ccnc3)CC1)c1cccn12
InChIInChI=1S/C20H21FN6/c21-16-3-4-18-17(14-16)23-20(19-2-1-6-27(18)19)26-12-10-24(11-13-26)8-9-25-7-5-22-15-25/h1-7,14-15H,8-13H2
InChIKeyASQVLAWCAVGHRV-UHFFFAOYSA-N
XLogP2.65
TPSA41.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (CID 44542078) is 7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is Fc1ccc2c(c1)nc(N1CCN(CCn3ccnc3)CC1)c1cccn12.
What is the InChIKey of 7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is ASQVLAWCAVGHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6/c21-16-3-4-18-17(14-16)23-20(19-2-1-6-27(18)19)26-12-10-24(11-13-26)8-9-25-7-5-22-15-25/h1-7,14-15H,8-13H2.
What are the key properties of 7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline has a molecular weight of 364.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 44542078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).