2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone

C20H19N5O4 — CID 108741428

IUPAC2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H19N5O4/c26-20(14-29-18-8-4-3-7-17(18)25(27)28)24-11-9-23(10-12-24)19-13-21-15-5-1-2-6-16(15)22-19/h1-8,13H,9-12,14H2
InChIKeyVIDVGGGPDJFSEL-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.27
Rot. Bonds5

About 2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone

2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone (PubChem CID 108741428) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
PubChem CID108741428
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C20H19N5O4/c26-20(14-29-18-8-4-3-7-17(18)25(27)28)24-11-9-23(10-12-24)19-13-21-15-5-1-2-6-16(15)22-19/h1-8,13H,9-12,14H2
InChIKeyVIDVGGGPDJFSEL-UHFFFAOYSA-N
XLogP2.27
TPSA101.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741413
2-(2-nitrophenoxy)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 8504159
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 38390679
1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 108729565
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 134020517
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone
CID 18153257
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 31611260
2-(4-methyl-2-nitrophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 24680632
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 46511032
1-[4-(methylamino)piperidin-1-yl]-2-(2-nitrophenoxy)ethanone;hydrochloride
CID 119561422
1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 9013434
2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 27825590

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone (CID 108741428) is 2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone is O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is VIDVGGGPDJFSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c26-20(14-29-18-8-4-3-7-17(18)25(27)28)24-11-9-23(10-12-24)19-13-21-15-5-1-2-6-16(15)22-19/h1-8,13H,9-12,14H2.
What are the key properties of 2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 393.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 108741428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).