| CAS Number | 1381291-36-6 |
| Catalog Number | AG009CKK |
| Chemical Name | USP7-IN-1 |
| IUPAC Name | 7-chloro-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one |
| InChI | InChI=1S/C23H24ClN3O3/c24-18-7-8-19-20(14-18)25-16-27(22(19)29)15-23(30)10-12-26(13-11-23)21(28)9-6-17-4-2-1-3-5-17/h1-5,7-8,14,16,30H,6,9-13,15H2 |
| InChI Key | CITWIBXKKHFDFM-UHFFFAOYSA-N |
| MDL Number | MFCD28385846 |
| Molecular Formula | C23H24ClN3O3 |
| Molecular Weight | 425.908 |
| SMILES | N1C2=C(C=CC(Cl)=C2)C(=O)N(CC2(O)CCN(C(=O)CCC3=CC=CC=C3)CC2)C=1 |
| Synonyms | USP7-IN-1,
1381291-36-6,
7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one,
SCHEMBL14735116,
ZINC12187083,
AKOS030400467,
CS-3515,
NCGC00390658-01,
HY-16709,
9QA,
A12813,
|
| Complexity | 656 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 425.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 425.913g/mol |
| Monoisotopic Mass | 425.151g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number