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917562-01-7 molecular structure
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6,8-dichloro-2-methylquinolin-4-amine

ChemBase ID: 806770
Molecular Formular: C10H8Cl2N2
Molecular Mass: 227.08992
Monoisotopic Mass: 226.00645363
SMILES and InChIs

SMILES:
c1c(c2c(cc1Cl)c(cc(n2)C)N)Cl
Canonical SMILES:
Clc1cc(Cl)c2c(c1)c(N)cc(n2)C
InChI:
InChI=1S/C10H8Cl2N2/c1-5-2-9(13)7-3-6(11)4-8(12)10(7)14-5/h2-4H,1H3,(H2,13,14)
InChIKey:
XEUOBWNEEOZXBH-UHFFFAOYSA-N

Cite this record

CBID:806770 http://www.chembase.cn/molecule-806770.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6,8-dichloro-2-methylquinolin-4-amine
IUPAC Traditional name
6,8-dichloro-2-methylquinolin-4-amine
Synonyms
4-AMINO-6,8-DICHLORO-2-METHYLQUINOLINE
CAS Number
917562-01-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24660 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24660 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) 1.7010504  LogD (pH = 7.4) 2.5959258 
Log P 2.641434  Molar Refractivity 58.8808 cm3
Polarizability 23.589819 Å3 Polar Surface Area 38.91 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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