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2585/4/8 molecular structure
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6-chloro-4-methylquinolin-2-ol

ChemBase ID: 816250
Molecular Formular: C10H8ClNO
Molecular Mass: 193.62962
Monoisotopic Mass: 193.02944156
SMILES and InChIs

SMILES:
c1cc2c(cc1Cl)c(cc(n2)O)C
Canonical SMILES:
Clc1ccc2c(c1)c(C)cc(n2)O
InChI:
InChI=1S/C10H8ClNO/c1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5H,1H3,(H,12,13)
InChIKey:
VQMIYHVFVPSLGB-UHFFFAOYSA-N

Cite this record

CBID:816250 http://www.chembase.cn/molecule-816250.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-4-methylquinolin-2-ol
IUPAC Traditional name
6-chloro-4-methylquinolin-2-ol
Synonyms
6-CHLORO-4-METHYLQUINOLIN-2-OL
CAS Number
2585/4/8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O40295 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O40295 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.814123  H Acceptors
H Donor LogD (pH = 5.5) 3.5391755 
LogD (pH = 7.4) 3.539241  Log P 3.5392587 
Molar Refractivity 52.1197 cm3 Polarizability 21.170351 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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