[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate

C21H19FN4O3 — CID 23915863

IUPAC[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate
SMILESO=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc2nccnc12
InChIInChI=1S/C21H19FN4O3/c22-15-4-6-16(7-5-15)25-10-12-26(13-11-25)19(27)14-29-21(28)17-2-1-3-18-20(17)24-9-8-23-18/h1-9H,10-14H2
InChIKeyGWCDWOPKHAXURG-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.27
Rot. Bonds4

About [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate

[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate (PubChem CID 23915863) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate.

Molecular Properties

Compound Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate
PubChem CID23915863
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate
SMILESO=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc2nccnc12
InChIInChI=1S/C21H19FN4O3/c22-15-4-6-16(7-5-15)25-10-12-26(13-11-25)19(27)14-29-21(28)17-2-1-3-18-20(17)24-9-8-23-18/h1-9H,10-14H2
InChIKeyGWCDWOPKHAXURG-UHFFFAOYSA-N
XLogP2.27
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate?
The IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate (CID 23915863) is [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate.
What is the SMILES notation for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate?
The canonical SMILES for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate is O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc2nccnc12.
What is the InChIKey of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate?
The InChIKey is GWCDWOPKHAXURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c22-15-4-6-16(7-5-15)25-10-12-26(13-11-25)19(27)14-29-21(28)17-2-1-3-18-20(17)24-9-8-23-18/h1-9H,10-14H2.
What are the key properties of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate?
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate has a molecular weight of 394.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-5-carboxylate is sourced from PubChem (CID 23915863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).