| CAS Number | 1415340-63-4 |
| Catalog Number | AG00A0FK |
| Chemical Name | MI-192 |
| IUPAC Name | N-(2-aminophenyl)-4-[(4-methylidene-1-oxo-3H-isoquinolin-2-yl)methyl]benzamide |
| InChI | InChI=1S/C24H21N3O2/c1-16-14-27(24(29)20-7-3-2-6-19(16)20)15-17-10-12-18(13-11-17)23(28)26-22-9-5-4-8-21(22)25/h2-13H,1,14-15,25H2,(H,26,28) |
| InChI Key | GTLTXEIKQVWSRF-UHFFFAOYSA-N |
| MDL Number | MFCD30182338 |
| Molecular Formula | C24H21N3O2 |
| Molecular Weight | 383.4424 |
| SMILES | O=C1N(CC2=CC=C(C(NC3=CC=CC=C3N)=O)C=C2)CC(C4=CC=CC=C41)=C |
| Synonyms | 1415340-63-4,
SCHEMBL14555188,
MI 192,
AKOS027470079,
ZINC147419870,
NCGC00480746-01,
MI192 hydrochloride, >=98% (HPLC),
N-(2-Aminophenyl)-4-[(3,4-dihydro-4-methylene-1-oxo-2(1H)-isoquinolinyl)methyl]benzamide,
GTLTXEIKQVWSRF-UHFFFAOYSA-N,
|
| Complexity | 626 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 383.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 383.451g/mol |
| Monoisotopic Mass | 383.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number