| CAS Number | 2158197-70-5 |
| Catalog Number | AG01FS4K(AGN-PC-3H5PP9) |
| Chemical Name | 7-(1-(Piperidin-4-yl)-1H-pyrazol-4-yl)-4-(p-tolyloxy)quinoline |
| IUPAC Name | 4-(4-methylphenoxy)-7-(1-piperidin-4-ylpyrazol-4-yl)quinoline |
| InChI | InChI=1S/C24H24N4O/c1-17-2-5-21(6-3-17)29-24-10-13-26-23-14-18(4-7-22(23)24)19-15-27-28(16-19)20-8-11-25-12-9-20/h2-7,10,13-16,20,25H,8-9,11-12H2,1H3 |
| InChI Key | VPVLPCIBKVWFDT-UHFFFAOYSA-N |
| MDL Number | MFCD31813738 |
| Molecular Formula | C24H24N4O |
| Molecular Weight | 384.4736 |
| SMILES | CC1=CC=C(OC2=CC=NC3=CC(C4=CN(C5CCNCC5)N=C4)=CC=C23)C=C1 |
| Synonyms | HS1371,
HS-1371,
2158197-70-5,
CHEMBL4091441,
BCP30268,
EX-A2073,
HS-1371 pound>>HS 1371,
BDBM50246489,
HY-114349,
AK00898249,
CS-0083312,
7-(1-(piperidin-4-yl)-1h-pyrazol-4-yl)-4-(p-tolyloxy)quinoline,
|
| Complexity | 517 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.195011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.5g/mol |
| Monoisotopic Mass | 384.195011g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number