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948291-18-7 molecular structure
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2-chloro-3-(chloromethyl)-6-methylquinoline

ChemBase ID: 807657
Molecular Formular: C11H9Cl2N
Molecular Mass: 226.10186
Monoisotopic Mass: 225.01120465
SMILES and InChIs

SMILES:
c1cc2c(cc1C)cc(c(n2)Cl)CCl
Canonical SMILES:
ClCc1cc2cc(C)ccc2nc1Cl
InChI:
InChI=1S/C11H9Cl2N/c1-7-2-3-10-8(4-7)5-9(6-12)11(13)14-10/h2-5H,6H2,1H3
InChIKey:
QTVPGRBERZUJGG-UHFFFAOYSA-N

Cite this record

CBID:807657 http://www.chembase.cn/molecule-807657.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3-(chloromethyl)-6-methylquinoline
IUPAC Traditional name
2-chloro-3-(chloromethyl)-6-methylquinoline
Synonyms
2-CHLORO-3-CHLOROMETHYL-6-METHYLQUINOLINE
CAS Number
948291-18-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25788 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O25788 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) 4.055782  LogD (pH = 7.4) 4.0557857 
Log P 4.0557857  Molar Refractivity 60.7535 cm3
Polarizability 24.283676 Å3 Polar Surface Area 12.89 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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