| CAS Number | 1283108-79-1 |
| Catalog Number | AG01APNG(AGN-PC-0WCO2Z) |
| Chemical Name | 3-acetyl-6-chloro-4-(4-methoxyphenyl)-1,2-dihydroquinolin-2-one |
| IUPAC Name | 3-acetyl-6-chloro-4-(4-methoxyphenyl)-1H-quinolin-2-one |
| InChI | InChI=1S/C18H14ClNO3/c1-10(21)16-17(11-3-6-13(23-2)7-4-11)14-9-12(19)5-8-15(14)20-18(16)22/h3-9H,1-2H3,(H,20,22) |
| InChI Key | APNGTHGDDCHQDH-UHFFFAOYSA-N |
| MDL Number | MFCD21091973 |
| Molecular Formula | C18H14ClNO3 |
| Molecular Weight | 327.7617 |
| SMILES | COC1=CC=C(C2C3=C(C=CC(=C3)Cl)NC(=O)C=2C(C)=O)C=C1 |
| Synonyms | 3-acetyl-6-chloro-4-(4-methoxyphenyl)quinolin-2(1H)-one,
1283108-79-1,
ZINC61957972,
AKOS015958157,
MCULE-9701496925,
L-4417,
F2147-0908,
3-acetyl-6-chloro-4-(4-methoxyphenyl)-1H-quinolin-2-one,
3-acetyl-6-chloro-4-(4-methoxyphenyl)-1,2-dihydroquinolin-2-one,
|
| Complexity | 522 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.764g/mol |
| Monoisotopic Mass | 327.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number