8-Chloro-1-cyclopropyl-7-(trans-3-ethylamino-4-methylthio-1-pyrrolidinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

HCID 15070082

Notes Reactions

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Basic information

Standard SMILES: CCN[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C[C@H]1SC
InChIKey: SDZOAJCBAWDUIK-HUUCEWRRSA-N
Molecular formula: C20H23ClFN3O3S
Average molar mass: 439.9 g/mol

Names & identifiers

Preferred name: 8-Chloro-1-cyclopropyl-7-(trans-3-ethylamino-4-methylthio-1-pyrrolidinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
IUPAC: 8-chloro-1-cyclopropyl-7-[(3R,4R)-3-(ethylamino)-4-methylsulfanylpyrrolidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid

Names & synonyms

SCHEMBL8741003SDZOAJCBAWDUIK-HUUCEWRRSA-N8-chloro-1-cyclopropyl-7-(trans-3-ethylamino-4-methylthio-1-pyrrolidinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

Database identifiers

PubChem CID: 15070082

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 98.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 706

Related reactions

3 records

New reaction record

HRID 36717As productuspto-grants-1995_05

HRID 345851As productuspto-grants-1991_10

HRID 974946As productuspto-grants-1997_03

Compound notes

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