Piperazineethanol, 4-(3-chlorophenyl)-, N-(7-trifluoromethoxy-4-quinolyl)anthranilate, dihydrochloride
Basic information
- CAS
51941-02-7- Standard SMILES
Cl.Cl.O=C(OCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Nc1ccnc2cc(OC(F)(F)F)ccc12- InChIKey
PUBFQVSOXJSNTL-UHFFFAOYSA-N- Molecular formula
- C29H28Cl3F3N4O3
- Average molar mass
- 643.9 g/mol
- Monoisotopic mass
- 642.117908
Names & identifiers
- Preferred name
- Piperazineethanol, 4-(3-chlorophenyl)-, N-(7-trifluoromethoxy-4-quinolyl)anthranilate, dihydrochloride
- IUPAC
- 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[7-(trifluoromethoxy)quinolin-4-yl]amino]benzoate;dihydrochloride
Names & synonyms
Piperazineethanol, 4-(3-chlorophenyl)-, N-(7-trifluoromethoxy-4-quinolyl)anthranilate, dihydrochloride4-(3-Chlorophenyl)piperazineethanol N-(7-trifluoromethoxy-4-quinolyl)anthranilate 2HCl51941-02-7DTXSID10199914RefChem:372698DTXCID701224052-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl 2-{[7-(trifluoromethoxy)quinolin-4-yl]amino}benzoate--hydrogen chloride (1/2)
Database identifiers
- CAS
51941-02-7- PubChem CID
- 3040296
- DTXSID
DTXSID10199914
Properties
Computed structural properties
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 816
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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