10-[(3-Fluorophenyl)methyl]-2,4,4a,10-tetrahydrobenzo[b][1,8]naphthyridin-5(3H)-one
Basic information
- CAS
198879-72-0- Standard SMILES
O=C1c2ccccc2N(Cc2cccc(F)c2)C2=NCCCC12- InChIKey
KYHDTNXRRGWGOZ-UHFFFAOYSA-N- Molecular formula
- C19H17FN2O
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.13249133
Names & identifiers
- Preferred name
- 10-[(3-Fluorophenyl)methyl]-2,4,4a,10-tetrahydrobenzo[b][1,8]naphthyridin-5(3H)-one
- IUPAC
- 10-[(3-fluorophenyl)methyl]-2,3,4,4a-tetrahydrobenzo[b][1,8]naphthyridin-5-one
Names & synonyms
NSC331976DTXSID501129967AKOS024324078NSC-33197610-[(3-Fluorophenyl)methyl]-2,4,4a,10-tetrahydrobenzo[b][1,8]naphthyridin-5(3H)-one198879-72-0
Database identifiers
- CAS
198879-72-0- PubChem CID
- 332789
- DTXSID
DTXSID501129967
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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