| CAS Number | 1031496-06-6 |
| Catalog Number | AG01BBC6 |
| Chemical Name | N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetamide |
| IUPAC Name | 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide |
| InChI | InChI=1S/C21H21N3O2/c1-15-14-19(23-26-15)22-21(25)20(17-9-3-2-4-10-17)24-13-7-11-16-8-5-6-12-18(16)24/h2-6,8-10,12,14,20H,7,11,13H2,1H3,(H,22,23,25) |
| InChI Key | KSEXDSJYVSEVGF-UHFFFAOYSA-N |
| MDL Number | MFCD10627035 |
| Molecular Formula | C21H21N3O2 |
| Molecular Weight | 347.4103 |
| SMILES | N1(CCCC2=CC=CC=C12)C(C(=O)NC1=NOC(=C1)C)C1=CC=CC=C1 |
| Synonyms | 1031496-06-6,
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetamide,
CIM 0216,
MFCD10627035,
AKOS025293508,
MCULE-3154415327,
3,4-Dihydro-N-(5-methyl-3-isoxazolyl)-?-phenyl-1(2H)-quinolineacetamide,
2-(3,4-Dihydro-1(2H)-quinolinyl)-N-(5-methyl-3-isoxazolyl)-2-phenylacetamide (Adriamycin),
KSEXDSJYVSEVGF-UHFFFAOYSA-N,
|
| Complexity | 480 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.418g/mol |
| Monoisotopic Mass | 347.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number