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67213-74-5 | 2-PYRIDIN-2-YLMETHYL-4H-ISOQUINOLINE-1,3-DIONE
CAS No: 67213-74-5 Catalog No: AG00FYE9 MDL No:MFCD03656264
Product Description
Catalog Number:
AG00FYE9
Chemical Name:
2-PYRIDIN-2-YLMETHYL-4H-ISOQUINOLINE-1,3-DIONE
CAS Number:
67213-74-5
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
MDL Number:
MFCD03656264
IUPAC Name:
2-(pyridin-2-ylmethyl)-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C15H12N2O2/c18-14-9-11-5-1-2-7-13(11)15(19)17(14)10-12-6-3-4-8-16-12/h1-8H,9-10H2
InChI Key:
NODLVRDDVBGXOY-UHFFFAOYSA-N
SMILES:
O=C1Cc2ccccc2C(=O)N1Cc1ccccn1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| 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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