2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one

C24H28N4O2 — CID 108764012

IUPAC2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C24H28N4O2/c1-17(2)19-8-10-20(11-9-19)30-18(3)24(29)28-14-12-27(13-15-28)23-16-25-21-6-4-5-7-22(21)26-23/h4-11,16-18H,12-15H2,1-3H3
InChIKeyXYDABOCVHBTUTR-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.87
Rot. Bonds5

About 2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one

2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 108764012) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID108764012
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C24H28N4O2/c1-17(2)19-8-10-20(11-9-19)30-18(3)24(29)28-14-12-27(13-15-28)23-16-25-21-6-4-5-7-22(21)26-23/h4-11,16-18H,12-15H2,1-3H3
InChIKeyXYDABOCVHBTUTR-UHFFFAOYSA-N
XLogP3.87
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 36724322
(2S)-2-(4-propan-2-ylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 42562844
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902
1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one
CID 53001293
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51143811
2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one
CID 108536039
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one
CID 93072543
(2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 7354583
2-methyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108546843
1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108568972
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108534785

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one (CID 108764012) is 2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one is CC(Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is XYDABOCVHBTUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17(2)19-8-10-20(11-9-19)30-18(3)24(29)28-14-12-27(13-15-28)23-16-25-21-6-4-5-7-22(21)26-23/h4-11,16-18H,12-15H2,1-3H3.
What are the key properties of 2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one?
2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 404.51 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 108764012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).