| CAS Number | 1815580-06-3 |
| Catalog Number | AG01ENWN(AGN-PC-3H4644) |
| Chemical Name | N-Hydroxy-4-(2-methoxy-5-(methyl(2-methylquinazolin-4-yl)amino)phenoxy)butanamide |
| IUPAC Name | N-hydroxy-4-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide |
| InChI | InChI=1S/C21H24N4O4/c1-14-22-17-8-5-4-7-16(17)21(23-14)25(2)15-10-11-18(28-3)19(13-15)29-12-6-9-20(26)24-27/h4-5,7-8,10-11,13,27H,6,9,12H2,1-3H3,(H,24,26) |
| InChI Key | FWXZZFONXWYSEF-UHFFFAOYSA-N |
| MDL Number | MFCD30533607 |
| Molecular Formula | C21H24N4O4 |
| Molecular Weight | 396.4397 |
| SMILES | ONC(CCCOC1=C(C=CC(=C1)N(C1=NC(=NC2=CC=CC=C12)C)C)OC)=O |
| Synonyms | HDAC6-IN-1,
CHEMBL3774414,
1815580-06-3,
SCHEMBL18088067,
BDBM50151375,
HY-18947,
CS-0014660,
J3.553.794E,
N-Hydroxy-4-[2-methoxy-5-[methyl(2-methylquinazoline-4-yl)amino]phenoxy]butanamide,
|
| Complexity | 523 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 396.18g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 396.447g/mol |
| Monoisotopic Mass | 396.18g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 96.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number