Completing data — usually done within a minute
Basic information
- CAS
91187-82-5- Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(CNC)C3)nc21- InChIKey
KADAPIRHXVRMJV-UHFFFAOYSA-N- Molecular formula
- C17H21FN4O3
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.15976875
Names & identifiers
- Preferred name
- 1-Ethyl-6-fluoro-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
- IUPAC
- 1-ethyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
Names & synonyms
91187-82-51,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-1-ethyl-6-fluoro-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-[3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo-1-ethyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acidSCHEMBL9437319DTXSID80919904KADAPIRHXVRMJV-UHFFFAOYSA-N1-ethyl-6-fluoro-1,4-dihydro-7-[3-[(methylamino)-methyl]-1-pyrrolidinyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid1-ETHYL-6-FLUORO-1,4-DIHYDRO-7-[3-[(METHYLAMINO)METHYL]-1-PYRROLIDINYL]-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID
Database identifiers
- CAS
91187-82-5- PubChem CID
- 483502
- DTXSID
DTXSID80919904- Nikkaji
- J772.236B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 570
Related reactions
3 records
Compound notes
Loading…