| CAS Number | 1628618-33-6 |
| Catalog Number | AG001THL(AGN-PC-0WCY4G) |
| Chemical Name | 7-Chloro-5-methyl-2-(2-(quinolin-2-yl)ethyl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-1,6(5H)-dione |
| IUPAC Name | 7-chloro-5-methyl-2-(2-quinolin-2-ylethyl)-3H-pyrrolo[3,4-c]pyridine-1,6-dione |
| InChI | InChI=1S/C19H16ClN3O2/c1-22-10-13-11-23(18(24)16(13)17(20)19(22)25)9-8-14-7-6-12-4-2-3-5-15(12)21-14/h2-7,10H,8-9,11H2,1H3 |
| InChI Key | REHSVUHFOKOGRJ-UHFFFAOYSA-N |
| MDL Number | MFCD27991337 |
| Molecular Formula | C19H16ClN3O2 |
| Molecular Weight | 353.8022 |
| SMILES | O=C1N(CCc2ccc3c(n2)cccc3)Cc2c1c(Cl)c(=O)n(c2)C |
| Synonyms | 7-CHLORO-5-METHYL-2-(2-(QUINOLIN-2-YL)ETHYL)-2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDINE-1,6(5H)-DIONE,
1628618-33-6,
SCHEMBL16053485,
REHSVUHFOKOGRJ-UHFFFAOYSA-N,
CS-D1331,
MFCD27991337,
ZINC97758595,
AK200954,
7-Chloro-5-methyl-2-(2-quinolin-2-yl-ethyl)-3,5-dihydro-2H-pyrrolo[3,4-c]pyridine-1,6-dione,
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| Complexity | 657 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.806g/mol |
| Monoisotopic Mass | 353.093g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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