1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one

C22H25ClN4O — CID 139617099

IUPAC1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H25ClN4O/c23-18-6-5-7-19(16-18)26-14-12-25(13-15-26)10-3-4-11-27-21-9-2-1-8-20(21)24-17-22(27)28/h1-2,5-9,16-17H,3-4,10-15H2
InChIKeyLCWDELIWDROGFQ-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.65
Rot. Bonds6

About 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one

1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one (PubChem CID 139617099) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one
PubChem CID139617099
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1CCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H25ClN4O/c23-18-6-5-7-19(16-18)26-14-12-25(13-15-26)10-3-4-11-27-21-9-2-1-8-20(21)24-17-22(27)28/h1-2,5-9,16-17H,3-4,10-15H2
InChIKeyLCWDELIWDROGFQ-UHFFFAOYSA-N
XLogP3.65
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.65
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

1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one
CID 139617076
1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one
CID 139617050
1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one
CID 139617041
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole
CID 5209936
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324439
1-(2-morpholin-4-ylethyl)quinoxalin-2-one
CID 142775762
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-phenacylsulfanylquinazolin-4-one
CID 22589661
1-[4-(ethylamino)butyl]quinoxalin-2-one
CID 62562828
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-methyl-6-phenylpyridazin-3-one
CID 70275794
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 14086477

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one?
The IUPAC name of 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one (CID 139617099) is 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one.
What is the SMILES notation for 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one?
The canonical SMILES for 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one is O=c1cnc2ccccc2n1CCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one?
The InChIKey is LCWDELIWDROGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c23-18-6-5-7-19(16-18)26-14-12-25(13-15-26)10-3-4-11-27-21-9-2-1-8-20(21)24-17-22(27)28/h1-2,5-9,16-17H,3-4,10-15H2.
What are the key properties of 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one?
1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one has a molecular weight of 396.92 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one is sourced from PubChem (CID 139617099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).