3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-

Base Information

• Chemical Name: 3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-
• CAS No.: 99734-98-2
• Molecular Formula: C17H17F2N3O3
• Molecular Weight: 349.332
• UNII: OPH24O2PWB
• DSSTox Substance ID: DTXSID00912518
• Nikkaji Number: J336.878E
• Wikidata: Q27285776
• ChEMBL ID: CHEMBL15464

Synonyms:PD 117596;PD-117596

Chemical Property of 3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-

Chemical Property:

• Vapor Pressure: 2.25E-13mmHg at 25°C
• Boiling Point: 559.9°C at 760 mmHg
• Flash Point: 292.4°C
• PSA: 88.56000
• Density: 1.554g/cm³
• LogP: 2.61550
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 349.12379774
• Heavy Atom Count: 25
• Complexity: 624

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCC(C4)N)F)C(=O)O

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