1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one

C20H20N4O2 — CID 8892714

IUPAC1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one
SMILESO=C(Cn1c(=O)cnc2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H20N4O2/c25-19-14-21-17-8-4-5-9-18(17)24(19)15-20(26)23-12-10-22(11-13-23)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKeyZAQYWAFWAHDIQU-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.75
Rot. Bonds3

About 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one

1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one (PubChem CID 8892714) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one
PubChem CID8892714
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one
SMILESO=C(Cn1c(=O)cnc2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H20N4O2/c25-19-14-21-17-8-4-5-9-18(17)24(19)15-20(26)23-12-10-22(11-13-23)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKeyZAQYWAFWAHDIQU-UHFFFAOYSA-N
XLogP1.75
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one (CID 8892714) is 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one is O=C(Cn1c(=O)cnc2ccccc21)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one?
The InChIKey is ZAQYWAFWAHDIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19-14-21-17-8-4-5-9-18(17)24(19)15-20(26)23-12-10-22(11-13-23)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2.
What are the key properties of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one?
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one has a molecular weight of 348.41 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]quinoxalin-2-one is sourced from PubChem (CID 8892714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).