2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline

C23H28N4O — CID 24853592

IUPAC2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2OCCCCc2ccccc2)CC1
InChIInChI=1S/C23H28N4O/c1-26-14-16-27(17-15-26)22-23(25-21-13-6-5-12-20(21)24-22)28-18-8-7-11-19-9-3-2-4-10-19/h2-6,9-10,12-13H,7-8,11,14-18H2,1H3
InChIKeyYLLHNQPSHFVPLE-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.78
Rot. Bonds7

About 2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline

2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline (PubChem CID 24853592) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline
PubChem CID24853592
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2OCCCCc2ccccc2)CC1
InChIInChI=1S/C23H28N4O/c1-26-14-16-27(17-15-26)22-23(25-21-13-6-5-12-20(21)24-22)28-18-8-7-11-19-9-3-2-4-10-19/h2-6,9-10,12-13H,7-8,11,14-18H2,1H3
InChIKeyYLLHNQPSHFVPLE-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-N-(2-morpholinoethyl)quinoxalin-2-amine
CID 11624425
Vuf-10148
CID 24759623
1,2,3,4,4a,5-Hexahydropyrido[1',2':4,5][1,4]oxazino[2,3-b]quinoxaline
CID 4438134
2-Methoxy-3-(4-methylpiperazin-1-yl)quinoxaline
CID 8070960
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3-methylphenyl)piperazine
CID 11675599
1-[(2-Methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethylphenyl)piperazine
CID 23446362
2-Ethoxy-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24853663
4-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholine
CID 58547786
2-[3-[3-[4-(Methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58547789
N,N-dimethyl-1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-amine
CID 58547883
2-[3-[3-(4-Methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58548001
2-[3-(3-Piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58548016

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline (CID 24853592) is 2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline is CN1CCN(c2nc3ccccc3nc2OCCCCc2ccccc2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline?
The InChIKey is YLLHNQPSHFVPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-26-14-16-27(17-15-26)22-23(25-21-13-6-5-12-20(21)24-22)28-18-8-7-11-19-9-3-2-4-10-19/h2-6,9-10,12-13H,7-8,11,14-18H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline?
2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline has a molecular weight of 376.50 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-3-(4-phenylbutoxy)quinoxaline is sourced from PubChem (CID 24853592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).