Basic information
- CAS
113533-65-6- Standard SMILES
CNCC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1- InChIKey
YIDARVDQIDLREN-UHFFFAOYSA-N- Molecular formula
- C18H21FN4O3
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.15976871
Names & identifiers
- Preferred name
- 1,8-Naphthyridine-3-carboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-
- IUPAC
- 1-cyclopropyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
Names & synonyms
113533-65-61,8-Naphthyridine-3-carboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-1,8-Naphthyridine-3-carboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-[3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo-1-cyclopropyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid1-cyclopropyl-6-fluoro-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acidCHEMBL275358SCHEMBL9437340DTXSID90921098
Database identifiers
- CAS
113533-65-6- PubChem CID
- 483501
- DTXSID
DTXSID90921098- ChEMBL
CHEMBL275358- Nikkaji
- J772.231A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 624
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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