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952435-01-7 molecular structure
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2-chloro-4,6-dimethoxyquinoline

ChemBase ID: 804505
Molecular Formular: C11H10ClNO2
Molecular Mass: 223.6556
Monoisotopic Mass: 223.04000625
SMILES and InChIs

SMILES:
c1cc2c(cc1OC)c(cc(n2)Cl)OC
Canonical SMILES:
COc1cc(Cl)nc2c1cc(OC)cc2
InChI:
InChI=1S/C11H10ClNO2/c1-14-7-3-4-9-8(5-7)10(15-2)6-11(12)13-9/h3-6H,1-2H3
InChIKey:
YTZHPKKVXBRSPD-UHFFFAOYSA-N

Cite this record

CBID:804505 http://www.chembase.cn/molecule-804505.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4,6-dimethoxyquinoline
IUPAC Traditional name
2-chloro-4,6-dimethoxyquinoline
Synonyms
2-CHLORO-4,6-DIMETHOXYQUINOLINE
CAS Number
952435-01-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21525 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21525 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) 2.639611  LogD (pH = 7.4) 2.6397777 
Log P 2.6397798  Molar Refractivity 58.7718 cm3
Polarizability 23.898144 Å3 Polar Surface Area 31.35 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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