Basic information
- Standard SMILES
C=CC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(=O)OC)nc21- InChIKey
PJTSRVDOCCBCLS-UHFFFAOYSA-N- Molecular formula
- C19H18ClFN2O2
- Average molar mass
- 360.8 g/mol
- Monoisotopic mass
- 360.1040837
Names & identifiers
- Preferred name
- 6-(3-Chloro-4-fluoro-phenyl)-8-methyl-8-vinyl-5,6,7,8-tetrahydro-[1,5]naphthyridine-2-carboxylic acid methyl ester
- IUPAC
- methyl 6-(3-chloro-4-fluorophenyl)-8-ethenyl-8-methyl-6,7-dihydro-5H-1,5-naphthyridine-2-carboxylate
Names & synonyms
SCHEMBL45770PJTSRVDOCCBCLS-UHFFFAOYSA-N6-(3-chloro-4-fluoro-phenyl)-8-methyl-8-vinyl-5,6,7,8-tetrahydro-[1,5]naphthyridine-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 66587790
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 520
Related reactions
4 records
Compound notes
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