[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate

C21H20N4O3 — CID 23915883

IUPAC[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate
SMILESO=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1cnc2ccccc2n1
InChIInChI=1S/C21H20N4O3/c26-20(25-12-10-24(11-13-25)16-6-2-1-3-7-16)15-28-21(27)19-14-22-17-8-4-5-9-18(17)23-19/h1-9,14H,10-13,15H2
InChIKeyPBPZOQDCLPOOJG-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.14
Rot. Bonds4

About [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate (PubChem CID 23915883) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate
PubChem CID23915883
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate
SMILESO=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1cnc2ccccc2n1
InChIInChI=1S/C21H20N4O3/c26-20(25-12-10-24(11-13-25)16-6-2-1-3-7-16)15-28-21(27)19-14-22-17-8-4-5-9-18(17)23-19/h1-9,14H,10-13,15H2
InChIKeyPBPZOQDCLPOOJG-UHFFFAOYSA-N
XLogP2.14
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-2-carboxylate
CID 23744577
(2-morpholin-4-yl-2-oxoethyl) quinoxaline-2-carboxylate
CID 23773714
[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] quinoxaline-2-carboxylate
CID 41461733
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
[2-[(4R,4aS,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] quinoxaline-2-carboxylate
CID 100853967
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3,5-difluorobenzoate
CID 7990009
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-ethoxybenzoate
CID 17447126
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23831643
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylpyrrole-2-carboxylate
CID 2526458
ethyl quinoxaline-2-carboxylate
CID 582701
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate
CID 40703975
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate
CID 7836114

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate (CID 23915883) is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate is O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1cnc2ccccc2n1.
What is the InChIKey of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate?
The InChIKey is PBPZOQDCLPOOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-20(25-12-10-24(11-13-25)16-6-2-1-3-7-16)15-28-21(27)19-14-22-17-8-4-5-9-18(17)23-19/h1-9,14H,10-13,15H2.
What are the key properties of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate?
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate has a molecular weight of 376.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoxaline-2-carboxylate is sourced from PubChem (CID 23915883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).