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5-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(5'-amino-2'-methyl-pyrrolidin-1-yl)-4-oxo-quinoline-3-carboxylic acid

HCID 10177669
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1CCC(N)N1c1c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c2c1F
InChIKey
NLAQIECLUWMRED-UHFFFAOYSA-N
Molecular formula
C18H20F2N4O3
Average molar mass
378.4 g/mol

Names & identifiers

Preferred name
5-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(5'-amino-2'-methyl-pyrrolidin-1-yl)-4-oxo-quinoline-3-carboxylic acid
IUPAC
5-amino-7-(2-amino-5-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

Names & synonyms

NLAQIECLUWMRED-UHFFFAOYSA-N5-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(5'-amino-2'-methyl-pyrrolidin-1-yl)-4-oxo-quinoline-3-carboxylic acid

Database identifiers

PubChem CID
10177669

Properties

Computed structural properties

XLogP
0
Topological polar surface area
113 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
3
Heavy atoms
27
Formal charge
0
Complexity
686

Related reactions

2 records
New reaction record
HRID 11292 reaction equation
HRID 11292As productuspto-grants-2006_08
HRID 116947 reaction equation
HRID 116947As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes