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99878-79-2 molecular structure
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4-chloro-7,8-dimethoxyquinoline

ChemBase ID: 52830
Molecular Formular: C11H10ClNO2
Molecular Mass: 223.6556
Monoisotopic Mass: 223.04000625
SMILES and InChIs

SMILES:
c1c(c(c2c(c1)c(ccn2)Cl)OC)OC
Canonical SMILES:
COc1c(OC)ccc2c1nccc2Cl
InChI:
InChI=1S/C11H10ClNO2/c1-14-9-4-3-7-8(12)5-6-13-10(7)11(9)15-2/h3-6H,1-2H3
InChIKey:
CILQDBAXEWYDIH-UHFFFAOYSA-N

Cite this record

CBID:52830 http://www.chembase.cn/molecule-52830.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-7,8-dimethoxyquinoline
IUPAC Traditional name
4-chloro-7,8-dimethoxyquinoline
Synonyms
4-Chloro-7,8-dimethoxyquinoline
CAS Number
99878-79-2
MDL Number
MFCD08063220
PubChem SID
162057593
PubChem CID
343158

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
057520 external link Add to cart Please log in.
Data Source Data ID
PubChem 343158 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4193823  LogD (pH = 7.4) 2.4195998 
Log P 2.4196026  Molar Refractivity 57.7105 cm3
Polarizability 23.849077 Å3 Polar Surface Area 31.35 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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