| CAS Number | 2226517-76-4 |
| Catalog Number | AG01ENHE(AGN-PC-3H45LD) |
| Chemical Name | 6-Bromo-N-(3,4,5-trimethoxyphenyl)-4-quinolinamine |
| IUPAC Name | 6-bromo-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine |
| InChI | InChI=1S/C18H17BrN2O3/c1-22-16-9-12(10-17(23-2)18(16)24-3)21-15-6-7-20-14-5-4-11(19)8-13(14)15/h4-10H,1-3H3,(H,20,21) |
| InChI Key | AUOSKLDNVNGKRR-UHFFFAOYSA-N |
| MDL Number | MFCD31689258 |
| Molecular Formula | C18H17BrN2O3 |
| Molecular Weight | 389.2432 |
| SMILES | BrC1=CC2=C(C=C1)N=CC=C2NC3=CC(OC)=C(OC)C(OC)=C3 |
| Synonyms | SGC-GAK-1,
2226517-76-4,
6-Bromo-N-(3,4,5-trimethoxyphenyl)-4-quinolinamine,
SGC GAK 1,
HY-122186,
CS-0082494,
|
| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.249g/mol |
| Monoisotopic Mass | 388.042g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number