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35654-56-9 molecular structure
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4-chloro-6,7-dimethoxyquinoline

ChemBase ID: 52803
Molecular Formular: C11H10ClNO2
Molecular Mass: 223.6556
Monoisotopic Mass: 223.04000625
SMILES and InChIs

SMILES:
c1(c(cc2c(c1)c(ccn2)Cl)OC)OC
Canonical SMILES:
COc1cc2c(Cl)ccnc2cc1OC
InChI:
InChI=1S/C11H10ClNO2/c1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2/h3-6H,1-2H3
InChIKey:
WRVHQEYBCDPZEU-UHFFFAOYSA-N

Cite this record

CBID:52803 http://www.chembase.cn/molecule-52803.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6,7-dimethoxyquinoline
IUPAC Traditional name
4-chloro-6,7-dimethoxyquinoline
Synonyms
4-Chloro-6,7-dimethoxyquinoline
4-Chloro-6,7-dimethoxy-quinoline
CAS Number
35654-56-9
MDL Number
MFCD07778437
PubChem SID
162057566
PubChem CID
459610

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4068031  LogD (pH = 7.4) 2.4194388 
Log P 2.4196026  Molar Refractivity 57.7105 cm3
Polarizability 23.843548 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
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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