| CAS Number | 898235-65-9 |
| Catalog Number | AG003XU4(AGN-PC-00AOHZ) |
| Chemical Name | PF-622 |
| IUPAC Name | N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide |
| InChI | InChI=1S/C21H22N4O/c26-21(23-18-7-2-1-3-8-18)25-14-12-24(13-15-25)16-19-11-10-17-6-4-5-9-20(17)22-19/h1-11H,12-16H2,(H,23,26) |
| InChI Key | SNTCRRMCALVGNL-UHFFFAOYSA-N |
| MDL Number | MFCD10567108 |
| Molecular Formula | C21H22N4O |
| Molecular Weight | 346.4256 |
| SMILES | O=C(Nc1ccccc1)N1CCN(CC1)Cc1ccc2ccccc2n1 |
| Synonyms | N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide,
PF 622,
PF-622,
PF622 cpd,
PF-622,
898235-65-9,
N-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide,
CHEMBL513789,
SCHEMBL3600412,
BDBM26741,
CTK8F0013,
DTXSID00467917,
ZINC27647183,
NCGC00388308-02,
RT-015015,
PF622 cpd,
SNTCRRMCALVGNL-UHFFFAOYSA-N,
PF 622,
CID11515763,
C525147,
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| Complexity | 457 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.434g/mol |
| Monoisotopic Mass | 346.179g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number