| CAS Number | 365565-02-2 |
| Catalog Number | AG00BYDI(AGN-PC-0MU30D) |
| Chemical Name | PGP-4008 |
| IUPAC Name | N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-phenylacetamide |
| InChI | InChI=1S/C26H23N3O/c30-24(17-19-9-3-1-4-10-19)28-25-21-13-7-8-14-23(21)27-26-22(25)15-16-29(26)18-20-11-5-2-6-12-20/h1-14H,15-18H2,(H,27,28,30) |
| InChI Key | HVIAKQBMYMKWII-UHFFFAOYSA-N |
| MDL Number | Molecular Weight |
| Molecular Formula | C26H23N3O |
| Molecular Weight | 393.4803 |
| SMILES | O=C(CC1=CC=CC=C1)NC2=C(CCN3CC4=CC=CC=C4)C3=NC5=C2C=CC=C5 |
| Synonyms | N-1-benzyl-2,3-dihydro-1H-pyrrolo(2,3-b)quinolin-4-yl-2-phenylacetamide,
PGP 4008,
PGP-4008,
PGP4008,
PGP-4008,
365565-02-2,
CHEMBL283047,
SCHEMBL6783544,
CTK8G2345,
ZINC22309175,
N-(1-Benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-yl)-2-phenylacetamide,
HVIAKQBMYMKWII-UHFFFAOYSA-N,
CID9821937,
CID 9821937,
|
| Complexity | 569 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393.49g/mol |
| Monoisotopic Mass | 393.184g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 45.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number