| CAS Number | 1260220-63-0 |
| Catalog Number | AG01A5UC(AGN-PC-0WOA3C) |
| Chemical Name | 2-Methyl-3-(propan-2-yl)-1,4-dihydroquinolin-4-one |
| IUPAC Name | 2-methyl-3-propan-2-yl-1H-quinolin-4-one |
| InChI | InChI=1S/C13H15NO/c1-8(2)12-9(3)14-11-7-5-4-6-10(11)13(12)15/h4-8H,1-3H3,(H,14,15) |
| InChI Key | AJDNYHSBEVKAHY-UHFFFAOYSA-N |
| MDL Number | MFCD17246740 |
| Molecular Formula | C13H15NO |
| Molecular Weight | 201.2643 |
| SMILES | CC(C1C(=O)C2=C(C=CC=C2)NC=1C)C |
| Synonyms | 2-methyl-3-(propan-2-yl)-1,4-dihydroquinolin-4-one,
3-Isopropyl-2-methylquinolin-4-ol,
1260220-63-0,
357951-56-5,
SCHEMBL7127697,
AJDNYHSBEVKAHY-UHFFFAOYSA-N,
ZINC35064853,
AKOS012212172,
AKOS016042754,
MCULE-3882195700,
NE26836,
4-hydroxy-3-isopropyl-2-methylquinoline,
3-Isopropyl-2-methyl-quinolin-4-ol,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.269g/mol |
| Monoisotopic Mass | 201.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number