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Home > Quinoline > 847783-41-9
847783-41-9 | 3-(trimethoxymethyl)-1,2-dihydroisoquinolin-1-one
CAS No: 847783-41-9 Catalog No: AG019OED MDL No:MFCD07310895
Product Description
Catalog Number:
AG019OED
Chemical Name:
3-(trimethoxymethyl)-1,2-dihydroisoquinolin-1-one
CAS Number:
847783-41-9
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
MDL Number:
MFCD07310895
IUPAC Name:
3-(trimethoxymethyl)-2H-isoquinolin-1-one
InChI:
InChI=1S/C13H15NO4/c1-16-13(17-2,18-3)11-8-9-6-4-5-7-10(9)12(15)14-11/h4-8H,1-3H3,(H,14,15)
InChI Key:
NQBRJQFNQDAFOV-UHFFFAOYSA-N
SMILES:
COC(c1cc2ccccc2c(=O)[nH]1)(OC)OC
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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