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142326-59-8 molecular structure
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7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1,2-dihydroquinolin-2-one

ChemBase ID: 132505
Molecular Formular: C21H14ClNO3
Molecular Mass: 363.79376
Monoisotopic Mass: 363.06622099
SMILES and InChIs

SMILES:
c1ccc(cc1)Oc1cccc(c1)c1c(c2ccc(cc2[nH]c1=O)Cl)O
Canonical SMILES:
Clc1ccc2c(c1)[nH]c(=O)c(c2O)c1cccc(c1)Oc1ccccc1
InChI:
InChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25)
InChIKey:
FLVRDMUHUXVRET-UHFFFAOYSA-N

Cite this record

CBID:132505 http://www.chembase.cn/molecule-132505.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1,2-dihydroquinolin-2-one
IUPAC Traditional name
7-chloro-4-hydroxy-3-(3-phenoxyphenyl)-1H-quinolin-2-one
Synonyms
7-Chloro-4-hydroxy-3-(3-phenoxy)phenylquinolin-2[1H]-one
L-701,324
CAS Number
142326-59-8
MDL Number
MFCD00910917
PubChem SID
24278508
162226782
PubChem CID
54682505

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
L0258 external link Add to cart Please log in.
Data Source Data ID
PubChem 54682505 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.9545746  H Acceptors
H Donor LogD (pH = 5.5) 4.601051 
LogD (pH = 7.4) 4.0392966  Log P 4.616015 
Molar Refractivity 102.6692 cm3 Polarizability 38.609936 Å3
Polar Surface Area 58.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
DMSO: soluble36.4 mg/mL expand Show data source
Apperance
solid expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Gene Information
human ... GRIN1(2902)rat ... Grin1(24408), Grin2a(24409) expand Show data source
Purity
≥98% (HPLC) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - L0258 external link
Legal Information
Manufactured and sold under license from Merck, Sharp and Dohme, Ltd. U.S. Patent No. 5,348,962.
Biochem/physiol Actions
L-701,324 is a high affinity, selective antagonist at the glycine site of the NMDA glutamate receptor. L-701,324 is a potent, active anticonvulsant with a reduced propensity to activate mesolimbic dopaminergic systems in rodents.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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