| CAS Number | 913534-05-1 |
| Catalog Number | AG00H0AF(AGN-PC-0WNNX9) |
| Chemical Name | N-CYCLOHEXYL-7-CHLORO-1-[2-(4-MORPHOLINYL)ETHYL]QUINOLIN-4(1H)-ONE-3-CARBOXAMIDE |
| IUPAC Name | 7-chloro-N-cyclohexyl-1-(2-morpholin-4-ylethyl)-4-oxoquinoline-3-carboxamide |
| InChI | InChI=1S/C22H28ClN3O3/c23-16-6-7-18-20(14-16)26(9-8-25-10-12-29-13-11-25)15-19(21(18)27)22(28)24-17-4-2-1-3-5-17/h6-7,14-15,17H,1-5,8-13H2,(H,24,28) |
| InChI Key | MFKWLGOHFQBVAA-UHFFFAOYSA-N |
| MDL Number | MFCD09971113 |
| Molecular Formula | C22H28ClN3O3 |
| Molecular Weight | 417.9290 |
| SMILES | O=C1C2=CC=C(Cl)C=C2N(C=C1C(NC3CCCCC3)=O)CCN4CCOCC4 |
| Synonyms | CB65,
CB65 compound,
N-cyclohexyl-7-chloro-1-(2-(4-morpholinyl)ethyl)quinolin-4(1H)-one-3-carboxamide,
913534-05-1,
7-chloro-N-cyclohexyl-1-(2-morpholinoethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide,
CHEMBL217094,
n-cyclohexyl-7-chloro-1-[2-(4-morpholinyl)ethyl]quinolin-4(1h)-one-3-carboxamide,
CB 65,
SCHEMBL1935318,
BDBM50195513,
ZINC13831245,
AKOS024457228,
NCGC00167820-01,
N-cyclohexyl-7-chloro-1-(2-morpholin-4-ylethyl)-quinolin-4(1H)-on-3-carboxamide,
MFKWLGOHFQBVAA-UHFFFAOYSA-N,
|
| Complexity | 629 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 417.182g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 417.934g/mol |
| Monoisotopic Mass | 417.182g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number