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132118-30-0 molecular structure
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2-chloro-8-ethyl-3-methylquinoline

ChemBase ID: 807589
Molecular Formular: C12H12ClN
Molecular Mass: 205.68338
Monoisotopic Mass: 205.06582707
SMILES and InChIs

SMILES:
c1c(c2c(cc1)cc(c(n2)Cl)C)CC
Canonical SMILES:
CCc1cccc2c1nc(Cl)c(c2)C
InChI:
InChI=1S/C12H12ClN/c1-3-9-5-4-6-10-7-8(2)12(13)14-11(9)10/h4-7H,3H2,1-2H3
InChIKey:
SWNWAQYOGPBVDV-UHFFFAOYSA-N

Cite this record

CBID:807589 http://www.chembase.cn/molecule-807589.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-8-ethyl-3-methylquinoline
IUPAC Traditional name
2-chloro-8-ethyl-3-methylquinoline
Synonyms
2-CHLORO-8-ETHYL-3-METHYLQUINOLINE
CAS Number
132118-30-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25648 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O25648 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) 4.426521  LogD (pH = 7.4) 4.4265337 
Log P 4.4265337  Molar Refractivity 60.5288 cm3
Polarizability 24.269257 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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