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73863-46-4 molecular structure
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2-chloro-3,7-dimethylquinoline

ChemBase ID: 310543
Molecular Formular: C11H10ClN
Molecular Mass: 191.6568
Monoisotopic Mass: 191.05017701
SMILES and InChIs

SMILES:
n1c(c(cc2c1cc(cc2)C)C)Cl
Canonical SMILES:
Cc1ccc2c(c1)nc(c(c2)C)Cl
InChI:
InChI=1S/C11H10ClN/c1-7-3-4-9-6-8(2)11(12)13-10(9)5-7/h3-6H,1-2H3
InChIKey:
VRCFMOSCDFQGJA-UHFFFAOYSA-N

Cite this record

CBID:310543 http://www.chembase.cn/molecule-310543.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3,7-dimethylquinoline
IUPAC Traditional name
2-chloro-3,7-dimethylquinoline
Synonyms
2-chloro-3,7-dimethylquinoline
CAS Number
73863-46-4
MDL Number
MFCD02327517

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9819357  LogD (pH = 7.4) 3.9819648 
Log P 3.981965  Molar Refractivity 55.9278 cm3
Polarizability 22.423475 Å3 Polar Surface Area 12.89 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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