Basic information
- Standard SMILES
COc1c(N2CCC(n3cc(C)nn3)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12- InChIKey
FRJVQXYANPBNMY-UHFFFAOYSA-N- Molecular formula
- C21H23FN6O4
- Average molar mass
- 442.4 g/mol
- Monoisotopic mass
- 442.1764814
Names & identifiers
- Preferred name
- 5-Amino-1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyl-1,2,3-triazol-1-yl)pyrrolidin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
- IUPAC
- 5-amino-1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
Names & synonyms
SCHEMBL9293428FRJVQXYANPBNMY-UHFFFAOYSA-N5-Amino-1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(4-methyl -1,2,3-triazol-1-yl)pyrrolidin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 19005935
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 809
Related reactions
2 records
Compound notes
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