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203626-49-7 molecular structure
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5,7-dichloro-2-methylquinolin-4-ol

ChemBase ID: 816048
Molecular Formular: C10H7Cl2NO
Molecular Mass: 228.07468
Monoisotopic Mass: 226.99046921
SMILES and InChIs

SMILES:
c1(cc2c(c(c1)Cl)c(cc(n2)C)O)Cl
Canonical SMILES:
Clc1cc(Cl)c2c(c1)nc(cc2O)C
InChI:
InChI=1S/C10H7Cl2NO/c1-5-2-9(14)10-7(12)3-6(11)4-8(10)13-5/h2-4H,1H3,(H,13,14)
InChIKey:
PCNMMXRWXDHDNO-UHFFFAOYSA-N

Cite this record

CBID:816048 http://www.chembase.cn/molecule-816048.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,7-dichloro-2-methylquinolin-4-ol
IUPAC Traditional name
5,7-dichloro-2-methylquinolin-4-ol
Synonyms
5,7-DICHLORO-2-METHYL-4-QUINOLINOL
CAS Number
203626-49-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O39669 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O39669 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.272234  H Acceptors
H Donor LogD (pH = 5.5) 3.1666737 
LogD (pH = 7.4) 3.1662211  Log P 3.1667948 
Molar Refractivity 56.1613 cm3 Polarizability 23.064507 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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