Basic information
- Standard SMILES
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(-n4nn[nH]c4=O)cn1c23- InChIKey
UBVBCNZWMONSEB-JTQLQIEISA-N- Molecular formula
- C18H20FN7O3
- Average molar mass
- 401.4 g/mol
Names & identifiers
- Preferred name
- (S)-9-Fluoro-3-Methyl-10-(4-Methylpiperazin-1-yl)-6-(5-oxo-4,5-Dihydro-1H-Tetrazol-1-yl)-2,3-Dihydro-7H-[1,4]Oxazino[2,3,4-IJ]Quinolin-7-One
- IUPAC
- (2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-11-(5-oxo-1H-tetrazol-4-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraen-10-one
Names & synonyms
SCHEMBL17938245UBVBCNZWMONSEB-JTQLQIEISA-N(S)-9-Fluoro-3-Methyl-10-(4-Methylpiperazin-1-yl)-6-(5-oxo-4,5-Dihydro-1H-Tetrazol-1-yl)-2,3-Dihydro-7H-[1,4]Oxazino[2,3,4-IJ]Quinolin-7-One
Database identifiers
- PubChem CID
- 137167451
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 769
Related reactions
1 records
Compound notes
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