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Home > Quinoline > 113361-38-9
113361-38-9 | 5,8-Isoquinolinedione,1,2,3,4-tetrahydro-7-methoxy-6-methyl-2-[(4-methylphenyl)sulfonyl]-
CAS No: 113361-38-9 Catalog No: AG007SKQ MDL No:
Product Description
Catalog Number:
AG007SKQ
Chemical Name:
5,8-Isoquinolinedione,1,2,3,4-tetrahydro-7-methoxy-6-methyl-2-[(4-methylphenyl)sulfonyl]-
CAS Number:
113361-38-9
Molecular Formula:
C18H19NO5S
Molecular Weight:
361.4122
IUPAC Name:
7-methoxy-6-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-5,8-dione
InChI:
InChI=1S/C18H19NO5S/c1-11-4-6-13(7-5-11)25(22,23)19-9-8-14-15(10-19)17(21)18(24-3)12(2)16(14)20/h4-7H,8-10H2,1-3H3
InChI Key:
RGLXGQWRQRWRLI-UHFFFAOYSA-N
SMILES:
COC1=C(C)C(=O)C2=C(C1=O)CN(CC2)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
764
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.098g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.412g/mol
Monoisotopic Mass:
361.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Mechanism of inhibition of reverse transcriptase by quinone antibiotics. | The Journal of antibiotics 19871201 |
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