7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide
Basic information
- CAS
159831-74-0- Standard SMILES
NC(=O)c1nnc2cc(Cl)c(F)cc2c1N=Cc1ccccc1- InChIKey
OFYOLXRFHLEKKD-UHFFFAOYSA-N- Molecular formula
- C16H10ClFN4O
- Average molar mass
- 328.73 g/mol
- Monoisotopic mass
- 328.0527168
Names & identifiers
- Preferred name
- 7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide
- IUPAC
- 4-(benzylideneamino)-7-chloro-6-fluorocinnoline-3-carboxamide
Names & synonyms
7-Chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide159831-74-03-Cinnolinecarboxamide, 7-chloro-6-fluoro-4-((phenylmethylene)amino)-
Database identifiers
- CAS
159831-74-0- PubChem CID
- 3074579
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 457
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Compound notes
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