7-((3S)-3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

Substructure search Find similar structures

Basic information

CAS: 133298-78-9
Standard SMILES: N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1
InChIKey: UHBXZNXCIZHGFF-QMMMGPOBSA-N
Molecular formula: C17H17F2N3O3
Average molar mass: 349.33 g/mol
Monoisotopic mass: 349.12379774

Names & identifiers

Preferred name: 7-((3S)-3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
IUPAC: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
English name: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quino line-3-carboxylic acid
Molecular formula: C17H17F2N3O3
Molecular weight: 349.33

Names & synonyms

133298-78-9(S)-7-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-((3S)-3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acidCHEMBL51403SCHEMBL9416068DTXSID001580507-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-[(3S)-3-AMINOPYRROLIDIN-1-YL]-1-CYCLOPROPYL-6,8-DIFLUORO-4-OXO-QUINO LINE-3-CARBOXYLIC ACID(S)-7-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid3-Quinolinecarboxylic acid, 7-[(3S)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-

Database identifiers

CAS: 133298-78-9
PubChem CID: 149651
DTXSID: DTXSID00158050
ChEMBL: CHEMBL51403
Nikkaji: J444.390J

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 86.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 624

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…