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101273-81-8 | 1,3(2H,4H)-Isoquinolinedione, 2-(2-methylphenyl)-
CAS No: 101273-81-8 Catalog No: AG00044G MDL No:MFCD00629798
Product Description
Catalog Number:
AG00044G
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 2-(2-methylphenyl)-
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
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
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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