| CAS Number | 1178722-67-2 |
| Catalog Number | AG01A2JO |
| Chemical Name | 2,3-Dimethyl-6-(4-methylphenoxy)quinolin-4(1h)-one |
| IUPAC Name | 2,3-dimethyl-6-(4-methylphenoxy)-1H-quinolin-4-one |
| InChI | InChI=1S/C18H17NO2/c1-11-4-6-14(7-5-11)21-15-8-9-17-16(10-15)18(20)12(2)13(3)19-17/h4-10H,1-3H3,(H,19,20) |
| InChI Key | OGYASEAEQPHEEA-UHFFFAOYSA-N |
| MDL Number | MFCD22578621 |
| Molecular Formula | C18H17NO2 |
| Molecular Weight | 279.3331 |
| SMILES | CC1=CC=C(OC2=CC3=C(NC(=C(C3=O)C)C)C=C2)C=C1 |
| Synonyms | 2,3-dimethyl-6-(4-methylphenoxy)-1,4-dihydroquinolin-4-one,
1178722-67-2,
ZINC37947599,
AKOS010223440,
MCULE-8114596370,
NE44778,
2,3-dimethyl-6-(4-methylphenoxy)quinolin-4(1H)-one,
Z1511513663,
|
| Complexity | 435 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.339g/mol |
| Monoisotopic Mass | 279.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number