| CAS Number | 929252-65-3 |
| Catalog Number | AG01FS6L(AGN-PC-0W2COJ) |
| Chemical Name | tert-Butyl 4-(((4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl)oxy)methyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[[4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]piperidine-1-carboxylate |
| InChI | InChI=1S/C27H32FN3O5/c1-27(2,3)36-26(32)31-11-8-17(9-12-31)16-34-25-15-21-19(14-24(25)33-4)22(7-10-30-21)35-23-6-5-18(29)13-20(23)28/h5-7,10,13-15,17H,8-9,11-12,16,29H2,1-4H3 |
| InChI Key | HODLDQAFNUUMAJ-UHFFFAOYSA-N |
| MDL Number | MFCD26386170 |
| Molecular Formula | C27H32FN3O5 |
| Molecular Weight | 497.5585 |
| SMILES | O=C(N1CCC(COC2=C(OC)C=C3C(OC4=CC=C(N)C=C4F)=CC=NC3=C2)CC1)OC(C)(C)C |
| Synonyms | 929252-65-3,
tert-Butyl 4-(((4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl)oxy)methyl)piperidine-1-carboxylate,
SCHEMBL168001,
CHEMBL3667507,
HODLDQAFNUUMAJ-UHFFFAOYSA-N,
BDBM153653,
KS-00000U9A,
AK684082,
tert-butyl 4-((4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yloxy)methyl)piperidine-1-carboxylate,
tert-butyl 4-[[4-(4-amino-2-fluoro-phenoxy)-6-methoxy-7-quinolyl]oxymethyl]piperidine-1-carboxylate,
US8999982, tert-butyl 4-(((4-(4-amino-2- fluorophenoxy)-6- methoxyquinolin-7- yl)oxy)methyl)piperidine-1- carboxylate,
|
| Complexity | 714 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 497.232599g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 497.6g/mol |
| Monoisotopic Mass | 497.232599g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 96.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number