2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone

C23H25N3O3 — CID 126850631

IUPAC2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone
SMILESCC(C)c1ccc(OCC(=O)N2CCC(Oc3cnc4ccccc4n3)C2)cc1
InChIInChI=1S/C23H25N3O3/c1-16(2)17-7-9-18(10-8-17)28-15-23(27)26-12-11-19(14-26)29-22-13-24-20-5-3-4-6-21(20)25-22/h3-10,13,16,19H,11-12,14-15H2,1-2H3
InChIKeyLRGXEOOBDZCLFS-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.81
Rot. Bonds6

About 2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone

2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone (PubChem CID 126850631) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone
PubChem CID126850631
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone
SMILESCC(C)c1ccc(OCC(=O)N2CCC(Oc3cnc4ccccc4n3)C2)cc1
InChIInChI=1S/C23H25N3O3/c1-16(2)17-7-9-18(10-8-17)28-15-23(27)26-12-11-19(14-26)29-22-13-24-20-5-3-4-6-21(20)25-22/h3-10,13,16,19H,11-12,14-15H2,1-2H3
InChIKeyLRGXEOOBDZCLFS-UHFFFAOYSA-N
XLogP3.81
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone with MolForge

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Related Compounds

1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90637390
2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90559928
1-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90639590
N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 126850655
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415
ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
CID 90559847
N-(4-ethoxyphenyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide
CID 90560057
(2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126852268
1-(3-anilinopyrrolidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 56504074
(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 164630557
furan-3-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126854597

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone (CID 126850631) is 2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone is CC(C)c1ccc(OCC(=O)N2CCC(Oc3cnc4ccccc4n3)C2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone?
The InChIKey is LRGXEOOBDZCLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(2)17-7-9-18(10-8-17)28-15-23(27)26-12-11-19(14-26)29-22-13-24-20-5-3-4-6-21(20)25-22/h3-10,13,16,19H,11-12,14-15H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone?
2-(4-propan-2-ylphenoxy)-1-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone has a molecular weight of 391.47 g/mol, XLogP of 3.81, 6 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-(3-quinoxalin-2-yloxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 126850631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).