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23947-41-3 | 2(1H)-Quinolinone,5,8-dimethoxy-4-methyl-
CAS No: 23947-41-3 Catalog No: AG007ODP MDL No:MFCD01540825
Product Description
Catalog Number:
AG007ODP
Chemical Name:
2(1H)-Quinolinone,5,8-dimethoxy-4-methyl-
CAS Number:
23947-41-3
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD01540825
IUPAC Name:
5,8-dimethoxy-4-methyl-1H-quinolin-2-one
InChI:
InChI=1S/C12H13NO3/c1-7-6-10(14)13-12-9(16-3)5-4-8(15-2)11(7)12/h4-6H,1-3H3,(H,13,14)
InChI Key:
BUHDAIGNGIXQJO-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1c(C)cc(=O)[nH]2)OC
NSC Number:
109761
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/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 |
| Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. | Journal of medicinal chemistry 20090409 |
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