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Home > Quinoline > 217493-71-5
217493-71-5 | 1,3(2H,4H)-Isoquinolinedione, 2-[(4-methoxyphenyl)methyl]-
CAS No: 217493-71-5 Catalog No: AG00I484 MDL No:MFCD00974750
Product Description
Catalog Number:
AG00I484
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 2-[(4-methoxyphenyl)methyl]-
CAS Number:
217493-71-5
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
MDL Number:
MFCD00974750
IUPAC Name:
2-[(4-methoxyphenyl)methyl]-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C17H15NO3/c1-21-14-8-6-12(7-9-14)11-18-16(19)10-13-4-2-3-5-15(13)17(18)20/h2-9H,10-11H2,1H3
InChI Key:
GTFIXYRYXVQGML-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1C(=O)Cc2c(C1=O)cccc2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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