AC1MIF3K
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate;dihydrochloride
Also Known As: Piperazineethanol, 4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, N-(7-chloro-4-quinolyl)anthranilate, dihydrochloride|4-(3-Trifluoromethyl)phenylpiperazineethanol o-(7-chloro-4-quinolylamino)benzoate 2HCl|2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate dihydrochloride|2-{4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate--hydrogen chloride (1/2)|Benzoic acid, 2-[(7-chloro-4-quinolinyl)amino]-, 2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl ester, dihydrochloride
| Molecular Formula | C29H28Cl3F3N4O2 |
|---|---|
| Molecular Weight | 626.123 g/mol |
| LogP | 7.4732 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 626.123 |
| Monoisotopic Mass | 626.123 |
| Heavy Atoms | 41 |
| Complexity | 1481.4132 |
Chemical Identifiers
| CAS Number | 55366-85-3 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl)C5=CC=CC(=C5)C(F)(F)F.Cl.Cl |
Product Overview
AC1MIF3K (CAS 55366-85-3), with molecular formula C29H28Cl3F3N4O2 and molecular weight 626.123 g/mol. IUPAC: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate;dihydrochloride.