| CAS Number | 2003260-55-5 |
| Catalog Number | AG00BJEG |
| Chemical Name | Benzamide, 3-(8-hydroxy-6-quinolinyl)-N-(3-phenylpropyl)- |
| IUPAC Name | 3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide |
| InChI | InChI=1S/C25H22N2O2/c28-23-17-22(16-20-12-6-13-26-24(20)23)19-10-4-11-21(15-19)25(29)27-14-5-9-18-7-2-1-3-8-18/h1-4,6-8,10-13,15-17,28H,5,9,14H2,(H,27,29) |
| InChI Key | NYKBXXGHEMXSBB-UHFFFAOYSA-N |
| MDL Number | MFCD31382180 |
| Molecular Formula | C25H22N2O2 |
| Molecular Weight | 382.4544 |
| SMILES | O=C(NCCCC1=CC=CC=C1)C2=CC=CC(C3=CC(O)=C4N=CC=CC4=C3)=C2 |
| Synonyms | NCGC00244536,
2003260-55-5,
CHEMBL3785491,
EX-A2736,
BDBM50158844,
ZINC653721756,
CS-6877,
NCGC00244536-03,
HY-101799,
AK00779009,
Benzamide, 3-(8-hydroxy-6-quinolinyl)-N-(3-phenylpropyl)-,
3-(8-HYDROXYQUINOLIN-6-YL)-N-(3-PHENYLPROPYL)BENZAMIDE,
NCGC00244536,2003260-55-5, KDM4B Inhibitor compound B3,
|
| Complexity | 519 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 382.463g/mol |
| Monoisotopic Mass | 382.168g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number