3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one

C18H22N4O3 — CID 110665541

IUPAC3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one
SMILESCC(=O)CN1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C18H22N4O3/c1-13(23)12-21-8-10-22(11-9-21)17(24)7-6-16-18(25)20-15-5-3-2-4-14(15)19-16/h2-5H,6-12H2,1H3,(H,20,25)
InChIKeyCIMDFKZWOCOLMI-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.59
Rot. Bonds5

About 3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one

3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one (PubChem CID 110665541) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one
PubChem CID110665541
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one
SMILESCC(=O)CN1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C18H22N4O3/c1-13(23)12-21-8-10-22(11-9-21)17(24)7-6-16-18(25)20-15-5-3-2-4-14(15)19-16/h2-5H,6-12H2,1H3,(H,20,25)
InChIKeyCIMDFKZWOCOLMI-UHFFFAOYSA-N
XLogP0.59
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474428
3-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 17430756
3-[3-oxo-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propyl]-1H-quinoxalin-2-one
CID 72902475
3-[3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110741171
3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one
CID 8853290
3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474431
3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 71691969
3-[3-[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 56910348
3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72861368
3-[3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72929082
3-[3-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 95188441

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one (CID 110665541) is 3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one is CC(=O)CN1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1.
What is the InChIKey of 3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one?
The InChIKey is CIMDFKZWOCOLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13(23)12-21-8-10-22(11-9-21)17(24)7-6-16-18(25)20-15-5-3-2-4-14(15)19-16/h2-5H,6-12H2,1H3,(H,20,25).
What are the key properties of 3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one?
3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one has a molecular weight of 342.40 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 110665541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).