| CAS Number | 384820-98-8 |
| Catalog Number | AG01DTNQ(AGN-PC-0O9NGH) |
| Chemical Name | 3-QUINOLINECARBOXYLIC ACID, 4-HYDROXY-6-METHOXY-8-METHYL-, ETHYL ESTER |
| IUPAC Name | ethyl 6-methoxy-8-methyl-4-oxo-1H-quinoline-3-carboxylate |
| InChI | InChI=1S/C14H15NO4/c1-4-19-14(17)11-7-15-12-8(2)5-9(18-3)6-10(12)13(11)16/h5-7H,4H2,1-3H3,(H,15,16) |
| InChI Key | BFULUEVUXMEGLN-UHFFFAOYSA-N |
| MDL Number | MFCD28138077 |
| Molecular Formula | C14H15NO4 |
| Molecular Weight | 261.2732 |
| SMILES | O=C(C2=C(O)C1=CC(OC)=CC(C)=C1N=C2)OCC |
| Synonyms | Ethyl 4-Hydroxy-6-methoxy-8-methylquinoline-3-carboxylate,
384820-98-8,
SCHEMBL7293954,
SCHEMBL14358395,
BFULUEVUXMEGLN-UHFFFAOYSA-N,
ZINC38294757,
FT-0722148,
3-ethoxycarbonyl-6-methoxy-8-methyl-4(1H)-quinolone,
3-Quinolinecarboxylic acid, 4-hydroxy-6-methoxy-8-methyl-, ethyl ester,
CID11139882,
Ethyl 6-methoxy-8-methyl-4-oxo-1H-quinoline-3-carboxylate,
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| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.277g/mol |
| Monoisotopic Mass | 261.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number