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132118-45-7 molecular structure
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2-chloro-7-methoxy-3-methylquinoline

ChemBase ID: 805154
Molecular Formular: C11H10ClNO
Molecular Mass: 207.6562
Monoisotopic Mass: 207.04509163
SMILES and InChIs

SMILES:
c1(cc2c(cc1)cc(c(n2)Cl)C)OC
Canonical SMILES:
COc1ccc2c(c1)nc(c(c2)C)Cl
InChI:
InChI=1S/C11H10ClNO/c1-7-5-8-3-4-9(14-2)6-10(8)13-11(7)12/h3-6H,1-2H3
InChIKey:
KVBVZTHTUJBHOF-UHFFFAOYSA-N

Cite this record

CBID:805154 http://www.chembase.cn/molecule-805154.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-7-methoxy-3-methylquinoline
IUPAC Traditional name
2-chloro-7-methoxy-3-methylquinoline
Synonyms
2-CHLORO-7-METHOXY-3-METHYLQUINOLINE
CAS Number
132118-45-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22435 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22435 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 3.3108726  Molar Refractivity 57.3498 cm3
Polarizability 23.148397 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 3.3108447  LogD (pH = 7.4) 3.310872 

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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