Basic information
- CAS
146981-06-8- Standard SMILES
COc1c(N2CC[C@H](N)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12- InChIKey
DWUDIDPUESEORN-VIFPVBQESA-N- Molecular formula
- C18H20FN3O4
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.14378429
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-, (S)-
- IUPAC
- 7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Names & synonyms
3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-, (S)-146981-06-8(S)-7-(3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acidCHEMBL335783DTXSID301635567-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
146981-06-8- PubChem CID
- 197337
- DTXSID
DTXSID30163556- ChEMBL
CHEMBL335783- Nikkaji
- J522.281H
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 638
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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