Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate
Basic information
- CAS
123575-22-4- Standard SMILES
CC(COc1ccc(-n2nc3c(cc2=O)CCc2ccc(F)cc2-3)cc1)N(C)C.O=C(O)/C=C/C(=O)O- InChIKey
BZPHKELBMUVEBR-WLHGVMLRSA-N- Molecular formula
- C27H28FN3O6
- Average molar mass
- 509.5 g/mol
- Monoisotopic mass
- 509.19621378
Names & identifiers
- Preferred name
- Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate
- IUPAC
- (E)-but-2-enedioic acid;2-[4-[2-(dimethylamino)propoxy]phenyl]-9-fluoro-5,6-dihydrobenzo[h]cinnolin-3-one
Names & synonyms
123575-22-4Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioateRefChem:10788489-Fluoro-2-(4-(2-dimethylaminopropoxy)phenyl)-5,6-dihydrobenzo(h)cinnolin-3(2H)-one fumarateSCHEMBL9602356
Database identifiers
- CAS
123575-22-4- PubChem CID
- 6449486
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 788
Related reactions
0 records
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Compound notes
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