| CAS Number | 1445846-30-9 |
| Catalog Number | AG01EOMK(AGN-PC-3H46FK) |
| Chemical Name | GPR84 Antagonist 8 |
| IUPAC Name | 2-(1,4-dioxan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one |
| InChI | InChI=1S/C23H23N3O5/c27-23-25-22(31-15-19-14-28-9-10-29-19)12-21-20-5-4-18(11-16(20)6-8-26(21)23)30-13-17-3-1-2-7-24-17/h1-5,7,11-12,19H,6,8-10,13-15H2 |
| InChI Key | KSGKMLVYIUJQMZ-UHFFFAOYSA-N |
| MDL Number | MFCD31692401 |
| Molecular Formula | C23H23N3O5 |
| Molecular Weight | 421.4458 |
| SMILES | O=C1N=C(OCC2OCCOC2)C=C3N1CCC4=C3C=CC(OCC5=NC=CC=C5)=C4 |
| Synonyms | GPR84 antagonist 8,
1445846-30-9,
CHEMBL3719364,
SCHEMBL15051312,
HY-112562,
CS-0046493,
|
| Complexity | 711 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 421.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 421.453g/mol |
| Monoisotopic Mass | 421.164g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 82.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number