Basic information
- CAS
187231-60-3- Standard SMILES
COc1cc(NC(=O)c2nnc3cc(F)ccc3c2N)cc(OC)c1OC- InChIKey
RJEHBQQGLZNCAK-UHFFFAOYSA-N- Molecular formula
- C18H17FN4O4
- Average molar mass
- 372.3 g/mol
- Monoisotopic mass
- 372.1233832
Names & identifiers
- Preferred name
- 3-Cinnolinecarboxamide, 4-amino-7-fluoro-N-(3,4,5-trimethoxyphenyl)-
- IUPAC
- 4-amino-7-fluoro-N-(3,4,5-trimethoxyphenyl)cinnoline-3-carboxamide
Names & synonyms
187231-60-34-Amino-7-fluoro-N-(3,4,5-trimethoxyphenyl)-3-cinnolinecarboxamide3-Cinnolinecarboxamide, 4-amino-7-fluoro-N-(3,4,5-trimethoxyphenyl)-DTXSID50172004RefChem:278663DTXCID00944954-amino-7-fluoro-N-(3,4,5-trimethoxyphenyl)cinnoline-3-carboxamide
Database identifiers
- CAS
187231-60-3- PubChem CID
- 3075596
- DTXSID
DTXSID50172004- Nikkaji
- J806.618C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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