Home > Compound List > Compound details
86-75-9 molecular structure
click picture or here to close

quinolin-8-yl benzoate

ChemBase ID: 107731
Molecular Formular: C16H11NO2
Molecular Mass: 249.26404
Monoisotopic Mass: 249.0789786
SMILES and InChIs

SMILES:
O=C(Oc1cccc2c1nccc2)c1ccccc1
Canonical SMILES:
O=C(c1ccccc1)Oc1cccc2c1nccc2
InChI:
InChI=1S/C16H11NO2/c18-16(13-6-2-1-3-7-13)19-14-10-4-8-12-9-5-11-17-15(12)14/h1-11H
InChIKey:
BHKPHCKISVSDGV-UHFFFAOYSA-N

Cite this record

CBID:107731 http://www.chembase.cn/molecule-107731.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinolin-8-yl benzoate
IUPAC Traditional name
benzoxiquine
Synonyms
8-HYDROXYQUINOLINE BENZOATE
CAS Number
86-75-9
PubChem SID
162093697
PubChem CID
6855

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05204774 external link Add to cart Please log in.
Data Source Data ID
PubChem 6855 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.791805  LogD (pH = 7.4) 3.7923293 
Log P 3.792336  Molar Refractivity 71.7822 cm3
Polarizability 29.140194 Å3 Polar Surface Area 39.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05204774 external link
MP Biomedicals Rare Chemical collection

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