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27295-64-3 | 4-METHYL-2,3-DIHYDRO-1H-PYRROLO[3,4-C]QUINOLINE-1,3-DIONE
CAS No: 27295-64-3 Catalog No: AG00C260 MDL No:MFCD00179682
Product Description
Catalog Number:
AG00C260
Chemical Name:
4-METHYL-2,3-DIHYDRO-1H-PYRROLO[3,4-C]QUINOLINE-1,3-DIONE
CAS Number:
27295-64-3
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
MDL Number:
MFCD00179682
IUPAC Name:
4-methylpyrrolo[3,4-c]quinoline-1,3-dione
InChI:
InChI=1S/C12H8N2O2/c1-6-9-10(12(16)14-11(9)15)7-4-2-3-5-8(7)13-6/h2-5H,1H3,(H,14,15,16)
InChI Key:
RDOYVWRCQYHNHO-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1c1ccccc1nc2C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Structure-Based Identification of HIV-1 Nucleocapsid Protein Inhibitors Active against Wild-Type and Drug-Resistant HIV-1 Strains. | ACS chemical biology 20180119 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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