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155584-74-0 molecular structure
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2-chloro-3-(4-methylpiperazin-1-yl)quinoxaline

ChemBase ID: 239971
Molecular Formular: C13H15ClN4
Molecular Mass: 262.738
Monoisotopic Mass: 262.09852418
SMILES and InChIs

SMILES:
c1(nc2c(nc1Cl)cccc2)N1CCN(CC1)C
Canonical SMILES:
CN1CCN(CC1)c1nc2ccccc2nc1Cl
InChI:
InChI=1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3
InChIKey:
FFXVTQDGTKEXHF-UHFFFAOYSA-N

Cite this record

CBID:239971 http://www.chembase.cn/molecule-239971.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3-(4-methylpiperazin-1-yl)quinoxaline
IUPAC Traditional name
2-chloro-3-(4-methylpiperazin-1-yl)quinoxaline
Synonyms
2-chloro-3-(4-methylpiperazin-1-yl)quinoxaline
VUF 10166
CAS Number
155584-74-0
MDL Number
MFCD01127814
PubChem SID
164295881
PubChem CID
24278976

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24278976 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5274913  LogD (pH = 7.4) 2.6069546 
Log P 2.6729212  Molar Refractivity 74.1087 cm3
Polarizability 29.140503 Å3 Polar Surface Area 32.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Pharmacology Properties Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.786 expand Show data source
Target
5-HT Receptor expand Show data source
Purity
95% expand Show data source
Salt Data
Free Base expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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