2-Fluoro-7,8,9,10-tetrahydroazepino(2,1-B)quinazolin-12(6H)-one
Basic information
- CAS
380638-37-9- Standard SMILES
O=c1c2cc(F)ccc2nc2n1CCCCC2- InChIKey
WVAWACGBVINVJM-UHFFFAOYSA-N- Molecular formula
- C13H13FN2O
- Average molar mass
- 232.25 g/mol
- Monoisotopic mass
- 232.1011912
Names & identifiers
- Preferred name
- 2-Fluoro-7,8,9,10-tetrahydroazepino(2,1-B)quinazolin-12(6H)-one
- IUPAC
- 2-fluoro-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
Names & synonyms
2-fluoro-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one2-FLUORO-7,8,9,10-TETRAHYDROAZEPINO(2,1-B)QUINAZOLIN-12(6H)-ONE2-Fluoro-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-oneDTXSID901176241AKOS002348687380638-37-9ST50477771
Database identifiers
- CAS
380638-37-9- PubChem CID
- 730212
- DTXSID
DTXSID901176241- EC Number
- 121-981-2
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 355
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Compound notes
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