Basic information
- Standard SMILES
CCOC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CCN(C(=O)CC)CC2)c(C(F)(F)F)c1- InChIKey
WVXRJQNVYZCROT-UHFFFAOYSA-N- Molecular formula
- C35H32F3N5O3
- Average molar mass
- 627.7 g/mol
- Monoisotopic mass
- 627.24572439
Names & identifiers
- Preferred name
- Ethyl 4'-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenylamino)-3,6'-biquinoline-3'-carboxylate
- IUPAC
- ethyl 4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxylate
Names & synonyms
ethyl 4'-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenylamino)-3,6'-biquinoline-3'-carboxylateSCHEMBL1367789
Database identifiers
- PubChem CID
- 49782829
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
5 records
Compound notes
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