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151449-78-4 | 3-Quinolinecarboxamide, N-(2-aminophenyl)-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-
CAS No: 151449-78-4 Catalog No: AG001NCO MDL No:MFCD00629253
Product Description
Catalog Number:
AG001NCO
Chemical Name:
3-Quinolinecarboxamide, N-(2-aminophenyl)-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-
CAS Number:
151449-78-4
Molecular Formula:
C17H15N3O3
Molecular Weight:
309.3193
MDL Number:
MFCD00629253
IUPAC Name:
N-(2-aminophenyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
InChI:
InChI=1S/C17H15N3O3/c1-20-13-9-5-2-6-10(13)15(21)14(17(20)23)16(22)19-12-8-4-3-7-11(12)18/h2-9,21H,18H2,1H3,(H,19,22)
InChI Key:
VHGBPFRMNBEDAA-UHFFFAOYSA-N
SMILES:
Nc1ccccc1NC(=O)c1c(O)c2ccccc2n(c1=O)C
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
309.325g/mol
Monoisotopic Mass:
309.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Design and synthesis of novel quinolinone-3-aminoamides and their alpha-lipoic acid adducts as antioxidant and anti-inflammatory agents. | Journal of medicinal chemistry 20070517 |
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