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

C22H24N4O2 — CID 53001293

IUPAC1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one
SMILESCC(Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C22H24N4O2/c1-16(22(27)26-13-11-25(2)12-14-26)28-18-9-7-17(8-10-18)21-15-23-19-5-3-4-6-20(19)24-21/h3-10,15-16H,11-14H2,1-2H3
InChIKeyKWLXWZSJVFXFLY-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.84
Rot. Bonds4

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

1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one (PubChem CID 53001293) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one
PubChem CID53001293
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one
SMILESCC(Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C22H24N4O2/c1-16(22(27)26-13-11-25(2)12-14-26)28-18-9-7-17(8-10-18)21-15-23-19-5-3-4-6-20(19)24-21/h3-10,15-16H,11-14H2,1-2H3
InChIKeyKWLXWZSJVFXFLY-UHFFFAOYSA-N
XLogP2.84
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-quinoxalin-2-ylphenoxy)propan-1-one
CID 93072543
(2S)-N-propan-2-yl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086695
2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108764012
(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086696
N-(3-methylbutyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112263
(2S)-N-benzyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086758
N-(2,6-dimethylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53112242
(2R)-N-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086673
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086679
(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
CID 166219750
N-(3-methylphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 53010895

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one (CID 53001293) is 1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one is CC(Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one?
The InChIKey is KWLXWZSJVFXFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(22(27)26-13-11-25(2)12-14-26)28-18-9-7-17(8-10-18)21-15-23-19-5-3-4-6-20(19)24-21/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one?
1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one has a molecular weight of 376.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 53001293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).