rel-7-[(3R,4S)-3-(Aminomethyl)-4-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

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Basic information

CAS: 217096-30-5
Standard SMILES: COc1c(N2C[C@@H](CN)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIKey: GLPYKQCLULTOBM-GHMZBOCLSA-N
Molecular formula: C20H24FN3O4
Average molar mass: 389.4 g/mol
Monoisotopic mass: 389.17508442

Names & identifiers

Preferred name: rel-7-[(3R,4S)-3-(Aminomethyl)-4-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
IUPAC: 7-[(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

Names & synonyms

CHEMBL1197079DTXSID501102026217096-30-5rel-7-[(3R,4S)-3-(Aminomethyl)-4-methyl-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Database identifiers

CAS: 217096-30-5
PubChem CID: 44328232
DTXSID: DTXSID501102026
ChEMBL: CHEMBL1197079

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 96.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 682

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Compound notes

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