1-Cyclopropyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid

Base Information

• Chemical Name: 1-Cyclopropyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid
• CAS No.: 146981-05-7
• Molecular Formula: C22H25 F4 N3 O3
• Molecular Weight: 455.45
• DSSTox Substance ID: DTXSID50932988
• Nikkaji Number: J523.474C
• Mol file: 146981-05-7.mol

Synonyms:146981-05-7;1-cyclopropyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid;1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(3-(((1-methylethyl)amino)methyl)-1-pyrrolidinyl)-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid;1-Cyclopropyl-6-fluoro-4-oxo-7-(3-{[(propan-2-yl)amino]methyl}pyrrolidin-1-yl)-8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid;1-Cyclopropyl-6-fluoro-7-(3-((isopropylamino)methyl)pyrrolidin-1-yl)-4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid;DTXSID50932988;MNFMIPSSMKDBBH-UHFFFAOYSA-N;1-Cyclopropyl-1,4-dihydro-8-(trifluoromethyl)-6-fluoro-7-[3-(isopropylaminomethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid

Chemical Property of 1-Cyclopropyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.58E-14mmHg at 25°C
• Boiling Point: 580.4°Cat760mmHg
• Flash Point: 304.8°C
• PSA: 74.57000
• Density: 1.395g/cm³
• LogP: 4.47270
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 455.18320432
• Heavy Atom Count: 32
• Complexity: 783

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NCC1CCN(C1)C2=C(C=C3C(=C2C(F)(F)F)N(C=C(C3=O)C(=O)O)C4CC4)F

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