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21629-50-5 molecular structure
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5-chloro-2,8-dimethylquinolin-4-ol

ChemBase ID: 815785
Molecular Formular: C11H10ClNO
Molecular Mass: 207.6562
Monoisotopic Mass: 207.04509163
SMILES and InChIs

SMILES:
c1c(c2c(c(c1)Cl)c(cc(n2)C)O)C
Canonical SMILES:
Cc1cc(O)c2c(n1)c(C)ccc2Cl
InChI:
InChI=1S/C11H10ClNO/c1-6-3-4-8(12)10-9(14)5-7(2)13-11(6)10/h3-5H,1-2H3,(H,13,14)
InChIKey:
PCKJRUQECXKAOB-UHFFFAOYSA-N

Cite this record

CBID:815785 http://www.chembase.cn/molecule-815785.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2,8-dimethylquinolin-4-ol
IUPAC Traditional name
5-chloro-2,8-dimethylquinolin-4-ol
Synonyms
5-CHLORO-2,8-DIMETHYL-4-QUINOLINOL
CAS Number
21629-50-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38547 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38547 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.613681  H Acceptors
H Donor LogD (pH = 5.5) 3.075664 
LogD (pH = 7.4) 3.075904  Log P 3.0761714 
Molar Refractivity 56.3977 cm3 Polarizability 22.949726 Å3
Polar Surface Area 33.12 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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