Completing data — usually done within a minute
Basic information
- CAS
112811-73-1- Standard SMILES
COc1c(N2CCC(NC(=O)OC(C)(C)C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12- InChIKey
BJEYZLOTVBBXON-UHFFFAOYSA-N- Molecular formula
- C23H28FN3O6
- Average molar mass
- 461.5 g/mol
- Monoisotopic mass
- 461.19621378
Names & identifiers
- Preferred name
- 7-(3-t-Butoxycarbonylamino-1-pyrrolidinyl)-1-cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
- IUPAC
- 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
Names & synonyms
SCHEMBL9158722BJEYZLOTVBBXON-UHFFFAOYSA-NDTXSID901101606112811-73-17-(3-t-butoxycarbonylamino-1-pyrrolidinyl)-1-cyclopropyl-1,4-dihydro-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid1-Cyclopropyl-7-[3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-pyrrolidinyl]-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
Database identifiers
- CAS
112811-73-1- PubChem CID
- 10073005
- DTXSID
DTXSID901101606
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 839
Related reactions
3 records
Compound notes
Loading…