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493-49-2 | 6,7-DIMETHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
CAS No: 493-49-2 Catalog No: AG00DFJQ MDL No:MFCD00197021
Product Description
Catalog Number:
AG00DFJQ
Chemical Name:
6,7-DIMETHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
CAS Number:
493-49-2
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD00197021
IUPAC Name:
6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C11H13NO3/c1-14-9-5-7-3-4-12-11(13)8(7)6-10(9)15-2/h5-6H,3-4H2,1-2H3,(H,12,13)
InChI Key:
MQKFSXLBPPCAGR-UHFFFAOYSA-N
SMILES:
COc1cc2C(=O)NCCc2cc1OC
UNII:
4171CTO4KU
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Antimalarial agents from plants. III. Trichothecenes from Ficus fistulosa and Rhaphidophora decursiva. | Planta medica 20021201 |
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