3-Methyl-4-oxo-1-phenyl-7-trifluoromethyl-1,4-dihydro-[1,8]naphthyridine-2-carboxylic acid methyl ester
Basic information
- Standard SMILES
COC(=O)c1c(C)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1- InChIKey
ASRVPXODVXSFEL-UHFFFAOYSA-N- Molecular formula
- C18H13F3N2O3
- Average molar mass
- 362.3 g/mol
- Monoisotopic mass
- 362.08782677
Names & identifiers
- Preferred name
- 3-Methyl-4-oxo-1-phenyl-7-trifluoromethyl-1,4-dihydro-[1,8]naphthyridine-2-carboxylic acid methyl ester
- IUPAC
- methyl 3-methyl-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate
Names & synonyms
3-Methyl-4-oxo-1-phenyl-7-trifluoromethyl-1,4-dihydro-[1,8]naphthyridine-2-carboxylic acid methyl esterSCHEMBL14575679
Database identifiers
- PubChem CID
- 71208486
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 611
Related reactions
3 records
Compound notes
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