Home > Compound List > Compound details
108097-04-7 molecular structure
click picture or here to close

2-chloro-3,8-dimethylquinoline

ChemBase ID: 807592
Molecular Formular: C11H10ClN
Molecular Mass: 191.6568
Monoisotopic Mass: 191.05017701
SMILES and InChIs

SMILES:
c1c(c2c(cc1)cc(c(n2)Cl)C)C
Canonical SMILES:
Clc1nc2c(cc1C)cccc2C
InChI:
InChI=1S/C11H10ClN/c1-7-4-3-5-9-6-8(2)11(12)13-10(7)9/h3-6H,1-2H3
InChIKey:
NVTHPPOUFJQHDY-UHFFFAOYSA-N

Cite this record

CBID:807592 http://www.chembase.cn/molecule-807592.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3,8-dimethylquinoline
IUPAC Traditional name
2-chloro-3,8-dimethylquinoline
Synonyms
2-CHLORO-3,8-DIMETHYLQUINOLINE
CAS Number
108097-04-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25652 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O25652 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) 3.981951  LogD (pH = 7.4) 3.9819648 
Log P 3.981965  Molar Refractivity 55.9278 cm3
Polarizability 22.423052 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle