Home Quinolines 101273-81-8
101273-81-8,MFCD00629798
Catalog No.:AA00041O
101273-81-8 | 2-O-Tolyl-4h-isoquinoline-1,3-dione
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Purity
Availability
Price(USD)
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250mg
95.0%
3 weeks  
$187.00   $131.00
- +
500mg
95.0%
3 weeks  
$287.00   $201.00
- +
1g
95.0%
3 weeks  
$403.00   $282.00
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  • Technical Information
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Technical Information
Catalog Number:
AA00041O
Chemical Name:
2-O-Tolyl-4h-isoquinoline-1,3-dione
CAS Number:
101273-81-8
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
MDL Number:
MFCD00629798
IUPAC Name:
2-(2-methylphenyl)-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C16H13NO2/c1-11-6-2-5-9-14(11)17-15(18)10-12-7-3-4-8-13(12)16(17)19/h2-9H,10H2,1H3
InChI Key:
REPHEHVXUKWHFV-UHFFFAOYSA-N
SMILES:
Cc1ccccc1N1C(=O)Cc2c(C1=O)cccc2
Properties
Computed Properties
 
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
2-o-Tolyl-4H-isoquinoline-1,3-dione 
101273-81-8 
HMS1726G14 
HMS2910F18 
ZINC3885936 
AKOS008965874 
MCULE-3049551225 
NE42350 
2-o-Tolylisoquinoline-1,3(2H,4H)-dione 
RT-007968 
EN300-04075 
2-o-Tolyl-4H-isoquinoline-1,3-dione, AldrichCPR 
2-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione 
SR-01000028529 
J-000354 
SR-01000028529-1 
1,3(2H,4H)-Isoquinolinedione, 2-(2-methylphenyl)- 
Z56785247 
MLS001171532 
ZINC03885936 
CID3811962 
SMR000592168 
2-(2-methylphenyl)-4H-isoquinoline-1,3-dione 
2-(o-Tolyl)isoquinoline-1,3(2H,4H)-dione 
AC1MX97S 
AC1Q2NS0 
Oprea1_270715 
CHEMBL1352220 
CTK8E4106 
DTXSID50396763 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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