| CAS Number | 1798310-55-0 |
| Catalog Number | AG01E3B8 |
| Chemical Name | AR420626 |
| IUPAC Name | N-(2,5-dichlorophenyl)-4-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide |
| InChI | InChI=1S/C21H18Cl2N2O3/c1-11-18(21(27)25-15-10-12(22)7-8-13(15)23)20(17-6-3-9-28-17)19-14(24-11)4-2-5-16(19)26/h3,6-10,20,24H,2,4-5H2,1H3,(H,25,27) |
| InChI Key | GGTYQECCGLBHGS-UHFFFAOYSA-N |
| MDL Number | MFCD28987470 |
| Molecular Formula | C21H18Cl2N2O3 |
| Molecular Weight | 417.2852 |
| SMILES | ClC1=C(C=C(C=C1)Cl)NC(=O)C1=C(NC=2CCCC(C2C1C=1OC=CC1)=O)C |
| Synonyms | 1798310-55-0,
AR420626,
AR 420626,
N-(2,5-dichlorophenyl)-4-(furan-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide,
AOB2860,
AKOS034831607,
NCGC00402353-02,
AS-16731,
AR420626, >=98% (HPLC),
GGTYQECCGLBHGS-UHFFFAOYSA-N,
|
| Complexity | 733 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 416.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 417.286g/mol |
| Monoisotopic Mass | 416.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number