Ethyl 1-(1-methylazetidin-3-yl)-4-oxo-6-(6-(3-propylureido)-4-(4-(trifluoromethyl)thiazol-2-yl)pyridin-3-yl)-1,4-dihydroquinoline-3-carboxylate
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Basic information
- Standard SMILES
CCCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2ccc3c(c2)c(=O)c(C(=O)OCC)cn3C2CN(C)C2)cn1- InChIKey
JRPZGSSRTNOTQU-UHFFFAOYSA-N- Molecular formula
- C29H29F3N6O4S
- Average molar mass
- 614.6 g/mol
- Monoisotopic mass
- 614.19230909
Names & identifiers
- Preferred name
- Ethyl 1-(1-methylazetidin-3-yl)-4-oxo-6-(6-(3-propylureido)-4-(4-(trifluoromethyl)thiazol-2-yl)pyridin-3-yl)-1,4-dihydroquinoline-3-carboxylate
- IUPAC
- ethyl 1-(1-methylazetidin-3-yl)-4-oxo-6-[6-(propylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]quinoline-3-carboxylate
Names & synonyms
Ethyl 1-(1-methylazetidin-3-yl)-4-oxo-6-(6-(3-propylureido)-4-(4-(trifluoromethyl)thiazol-2-yl)pyridin-3-yl)-1,4-dihydroquinoline-3-carboxylateSCHEMBL3003260
Database identifiers
- PubChem CID
- 44540347
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,070
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Related reactions
3 records
Compound notes
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