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100949-89-1 molecular structure
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4-methyl-2-(4-methylpiperazin-1-yl)quinoline

ChemBase ID: 113422
Molecular Formular: C15H19N3
Molecular Mass: 241.33146
Monoisotopic Mass: 241.15789762
SMILES and InChIs

SMILES:
c1(nc2c(c(c1)C)cccc2)N1CCN(CC1)C
Canonical SMILES:
CN1CCN(CC1)c1cc(C)c2c(n1)cccc2
InChI:
InChI=1S/C15H19N3/c1-12-11-15(18-9-7-17(2)8-10-18)16-14-6-4-3-5-13(12)14/h3-6,11H,7-10H2,1-2H3
InChIKey:
FRJPYTKAMYVLFY-UHFFFAOYSA-N

Cite this record

CBID:113422 http://www.chembase.cn/molecule-113422.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-2-(4-methylpiperazin-1-yl)quinoline
IUPAC Traditional name
4-methyl-2-(4-methylpiperazin-1-yl)quinoline
Synonyms
4-methyl-2-(4-methylpiperazin-1-yl)quinoline
CAS Number
100949-89-1
MDL Number
MFCD00817928
PubChem SID
162097903
PubChem CID
747018

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F1022-0013 external link Add to cart Please log in.
Data Source Data ID
PubChem 747018 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7231191  LogD (pH = 7.4) 2.6969955 
Log P 3.1939428  Molar Refractivity 75.8127 cm3
Polarizability 29.921995 Å3 Polar Surface Area 19.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
2.286 expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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