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474707-24-9 molecular structure
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6-bromo-4-(piperazin-1-yl)quinoline

ChemBase ID: 812589
Molecular Formular: C13H14BrN3
Molecular Mass: 292.17436
Monoisotopic Mass: 291.03710946
SMILES and InChIs

SMILES:
c1cc2c(cc1Br)c(ccn2)N1CCNCC1
Canonical SMILES:
Brc1ccc2c(c1)c(ccn2)N1CCNCC1
InChI:
InChI=1S/C13H14BrN3/c14-10-1-2-12-11(9-10)13(3-4-16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChIKey:
BBICIXDOMKPLKH-UHFFFAOYSA-N

Cite this record

CBID:812589 http://www.chembase.cn/molecule-812589.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-4-(piperazin-1-yl)quinoline
IUPAC Traditional name
6-bromo-4-(piperazin-1-yl)quinoline
Synonyms
6-BROMO-4-(PIPERAZIN-1-YL)QUINOLINE
CAS Number
474707-24-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32860 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32860 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.651306  LogD (pH = 7.4) 0.8660573 
Log P 2.4717686  Molar Refractivity 72.7861 cm3
Polarizability 28.903952 Å3 Polar Surface Area 28.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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