| CAS Number | 1154917-07-3 |
| Catalog Number | AG01BFAD |
| Chemical Name | 8-ethyl-2-(propan-2-yl)-1,4-dihydroquinolin-4-one |
| IUPAC Name | 8-ethyl-2-propan-2-yl-1H-quinolin-4-one |
| InChI | InChI=1S/C14H17NO/c1-4-10-6-5-7-11-13(16)8-12(9(2)3)15-14(10)11/h5-9H,4H2,1-3H3,(H,15,16) |
| InChI Key | ULVLYUARSSIFRN-UHFFFAOYSA-N |
| MDL Number | MFCD12114665 |
| Molecular Formula | C14H17NO |
| Molecular Weight | 215.2909 |
| SMILES | CCC1=C2C(C(C=C(C(C)C)N2)=O)=CC=C1 |
| Synonyms | 8-ethyl-2-(propan-2-yl)-1,4-dihydroquinolin-4-one,
1154917-07-3,
ZINC36912523,
AKOS009867660,
NE26139,
Z1889751095,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.296g/mol |
| Monoisotopic Mass | 215.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number