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22609-24-1 | 3-(4-Hydroxy-2,6-dimethyl-quinolin-3-yl)-propionic acid
CAS No: 22609-24-1 Catalog No: AG01F7TI MDL No:
Product Description
Catalog Number:
AG01F7TI
Chemical Name:
3-(4-Hydroxy-2,6-dimethyl-quinolin-3-yl)-propionic acid
CAS Number:
22609-24-1
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
3-(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)propanoic acid
InChI:
InChI=1S/C14H15NO3/c1-8-3-5-12-11(7-8)14(18)10(9(2)15-12)4-6-13(16)17/h3,5,7H,4,6H2,1-2H3,(H,15,18)(H,16,17)
InChI Key:
OXEYVHJLRAYPRX-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(C)nc2c(c1O)cc(cc2)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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