3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one

C18H24N4O2 — CID 50837390

IUPAC3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one
SMILESCCCC(=O)N1CCN(c2nc3ccccc3n(CC)c2=O)CC1
InChIInChI=1S/C18H24N4O2/c1-3-7-16(23)20-10-12-21(13-11-20)17-18(24)22(4-2)15-9-6-5-8-14(15)19-17/h5-6,8-9H,3-4,7,10-13H2,1-2H3
InChIKeyGNRCEZVJSNOFRQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.87
Rot. Bonds4

About 3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one

3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one (PubChem CID 50837390) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one.

Molecular Properties

Compound Name3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one
PubChem CID50837390
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one
SMILESCCCC(=O)N1CCN(c2nc3ccccc3n(CC)c2=O)CC1
InChIInChI=1S/C18H24N4O2/c1-3-7-16(23)20-10-12-21(13-11-20)17-18(24)22(4-2)15-9-6-5-8-14(15)19-17/h5-6,8-9H,3-4,7,10-13H2,1-2H3
InChIKeyGNRCEZVJSNOFRQ-UHFFFAOYSA-N
XLogP1.87
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one?
The IUPAC name of 3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one (CID 50837390) is 3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one.
What is the SMILES notation for 3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one?
The canonical SMILES for 3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one is CCCC(=O)N1CCN(c2nc3ccccc3n(CC)c2=O)CC1.
What is the InChIKey of 3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one?
The InChIKey is GNRCEZVJSNOFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-7-16(23)20-10-12-21(13-11-20)17-18(24)22(4-2)15-9-6-5-8-14(15)19-17/h5-6,8-9H,3-4,7,10-13H2,1-2H3.
What are the key properties of 3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one?
3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butanoylpiperazin-1-yl)-1-ethylquinoxalin-2-one is sourced from PubChem (CID 50837390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).