| CAS Number | 2055050-87-6 |
| Catalog Number | AG01EQCK(AGN-PC-3H478B) |
| Chemical Name | 8-chloro-2,5-dihydro-2-(3-methoxyphenyl)-3H-pyrazolo[4,3-c]quinolin-3-one |
| IUPAC Name | 8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one |
| InChI | InChI=1S/C17H12ClN3O2/c1-23-12-4-2-3-11(8-12)21-17(22)14-9-19-15-6-5-10(18)7-13(15)16(14)20-21/h2-9,20H,1H3 |
| InChI Key | PAQDEKQVYZRUSQ-UHFFFAOYSA-N |
| MDL Number | MFCD31922710 |
| Molecular Formula | C17H12ClN3O2 |
| Molecular Weight | 325.7491 |
| SMILES | ClC1=CC=2C=3C(=CNC2C=C1)C(N(N3)C3=CC(=CC=C3)OC)=O |
| Synonyms | LAU159,
2055050-87-6,
CHEMBL4087508,
SCHEMBL18285396,
LAU 159,
LAU-159,
EX-A1911,
8-chloro-2-(3-methoxyphenyl)-2,5-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one,
ACN-055561,
|
| Complexity | 463 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.752g/mol |
| Monoisotopic Mass | 325.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number