Home > Compound List > Compound details
63136-64-1 molecular structure
click picture or here to close

4-chloro-2,5,7-trimethylquinoline

ChemBase ID: 805196
Molecular Formular: C12H12ClN
Molecular Mass: 205.68338
Monoisotopic Mass: 205.06582707
SMILES and InChIs

SMILES:
c1(cc2c(c(c1)C)c(cc(n2)C)Cl)C
Canonical SMILES:
Cc1cc(C)c2c(c1)nc(cc2Cl)C
InChI:
InChI=1S/C12H12ClN/c1-7-4-8(2)12-10(13)6-9(3)14-11(12)5-7/h4-6H,1-3H3
InChIKey:
IQBVBMMNGRIPEI-UHFFFAOYSA-N

Cite this record

CBID:805196 http://www.chembase.cn/molecule-805196.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2,5,7-trimethylquinoline
IUPAC Traditional name
4-chloro-2,5,7-trimethylquinoline
Synonyms
4-CHLORO-2,5,7-TRIMETHYLQUINOLINE
CAS Number
63136-64-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22482 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22482 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) 3.7816195  LogD (pH = 7.4) 3.8915527 
Log P 3.8931582  Molar Refractivity 59.458 cm3
Polarizability 24.136822 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