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1174006-05-3 molecular structure
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7,8-dimethoxyquinolin-4-ol

ChemBase ID: 52829
Molecular Formular: C11H11NO3
Molecular Mass: 205.20994
Monoisotopic Mass: 205.07389322
SMILES and InChIs

SMILES:
c1c(c(c2c(c1)c(ccn2)O)OC)OC
Canonical SMILES:
COc1c(OC)ccc2c1nccc2O
InChI:
InChI=1S/C11H11NO3/c1-14-9-4-3-7-8(13)5-6-12-10(7)11(9)15-2/h3-6H,1-2H3,(H,12,13)
InChIKey:
QKKBTCLRDAEMQB-UHFFFAOYSA-N

Cite this record

CBID:52829 http://www.chembase.cn/molecule-52829.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7,8-dimethoxyquinolin-4-ol
IUPAC Traditional name
7,8-dimethoxyquinolin-4-ol
Synonyms
7,8-Dimethoxyquinolin-4-ol
CAS Number
1174006-05-3
MDL Number
MFCD08063219
PubChem SID
162057592
PubChem CID
343157

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
057519 external link Add to cart Please log in.
Data Source Data ID
PubChem 343157 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.690081  H Acceptors
H Donor LogD (pH = 5.5) 1.5119029 
LogD (pH = 7.4) 1.5119696  Log P 1.5119926 
Molar Refractivity 54.8866 cm3 Polarizability 22.582174 Å3
Polar Surface Area 51.58 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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