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4456-77-3 | 1,2,3,4-Tetrahydroisoquinoline-1,3-dione
CAS No: 4456-77-3 Catalog No: AG00DA3X MDL No:MFCD00234966
Product Description
Catalog Number:
AG00DA3X
Chemical Name:
1,2,3,4-Tetrahydroisoquinoline-1,3-dione
CAS Number:
4456-77-3
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00234966
IUPAC Name:
4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1-4H,5H2,(H,10,11,12)
InChI Key:
QGNQEODJYRGEJX-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c(C1)cccc2
NSC Number:
409146
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| NF-kappaB inducing kinase (NIK) inhibitors: identification of new scaffolds using virtual screening. | Bioorganic & medicinal chemistry letters 20100801 |
| 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 |
| Discovery of novel inhibitors of inducible nitric oxide synthase. | The Journal of pharmacy and pharmacology 20020801 |
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