| CAS Number | 332150-27-3 |
| Catalog Number | AG00C5VM(AGN-PC-0O909I) |
| Chemical Name | 4-(4-Hydroxy-6-methoxy-2-methylquinolin-3-YL)butan-2-one |
| IUPAC Name | 6-methoxy-2-methyl-3-(3-oxobutyl)-1H-quinolin-4-one |
| InChI | InChI=1S/C15H17NO3/c1-9(17)4-6-12-10(2)16-14-7-5-11(19-3)8-13(14)15(12)18/h5,7-8H,4,6H2,1-3H3,(H,16,18) |
| InChI Key | WPUANESYLXLGLX-UHFFFAOYSA-N |
| MDL Number | MFCD01143178 |
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.3004 |
| SMILES | COc1ccc2c(c1)c(O)c(c(n2)C)CCC(=O)C |
| Synonyms | 332150-27-3,
4-(4-HYDROXY-6-METHOXY-2-METHYLQUINOLIN-3-YL)BUTAN-2-ONE,
CHEMBRDG-BB 5688348,
AC1LG7T3,
CTK4H0206,
DTXSID10355053,
ZINC8739982,
ZX-CM016086,
MFCD01143178,
STL511366,
AKOS022184473,
MCULE-4068513893,
ACM332150273,
AJ-59213,
BAS 00733455,
W-8059,
6-methoxy-2-methyl-3-(3-oxobutyl)-1H-quinolin-4-one,
4-(4-Hydroxy-6-methoxy-2-methyl-3-quinolinyl)-2-butanone,
4-(4-Hydroxy-6-methoxy-2-methyl-quinolin-3-yl)-butan-2-one,
CID790311,
ZINC00290638,
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| Complexity | 414 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.305g/mol |
| Monoisotopic Mass | 259.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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