8-(2-Aminoethylamino)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid
Basic information
- CAS
185692-54-0- Standard SMILES
Cc1c(NCCN)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12- InChIKey
IHEGRMWMHRVFTC-UHFFFAOYSA-N- Molecular formula
- C16H18FN3O3
- Average molar mass
- 319.33 g/mol
- Monoisotopic mass
- 319.13321961
Names & identifiers
- Preferred name
- 8-(2-Aminoethylamino)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid
- IUPAC
- 8-(2-aminoethylamino)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Names & synonyms
8-(2-aminoethylamino)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acidCHEMBL318536DTXSID101118580185692-54-04H-Quinolizine-3-carboxylic acid, 8-[(2-aminoethyl)amino]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-[(2-Aminoethyl)amino]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylic acid
Database identifiers
- CAS
185692-54-0- PubChem CID
- 486106
- DTXSID
DTXSID101118580- ChEMBL
CHEMBL318536
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 714
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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