Cas no 104599-90-8 (Methyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinol Inecarboxylate)

Methyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinol Inecarboxylate structure
104599-90-8 structure
Product Name:Methyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinol Inecarboxylate
CAS No:104599-90-8
MF:C14H11ClFNO3
MW:295.693446397781
CID:1145402
PubChem ID:13273350
Update Time:2025-04-20

Methyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinol Inecarboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinol inecarboxylate
    • AGN-PC-00M8ES
    • 7-chloro-1-cyclopropyl-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid
    • 7-chloro-1-cyclopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
    • 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid methyl ester
    • 3-Quinolinecarboxylic acid, 7-chloro-1-cyclopropyl-1,4-dihydro-4-oxo-
    • CTK3F6623
    • AK118723
    • ACMC-20lx46
    • 7-Chloro-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
    • methyl 1-cyclopropyl-6-fluoro-4-oxo-7-chloro-1,4-dihydroqunoline-3-carboxylate
    • 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid methyl ester
    • 7-Chlor-1-cyclopropyl-6-fluor-1,4-dihydro-4-oxo-3-chinolincarbonsaeure-methylester
    • SureCN3815099
    • 7-chloro-1-cyclopropyl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
    • 3-Quinolinecarboxylic acid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, Methyl ester
    • 3-Quinolinecarboxylic acid,7-chloro-1-cyclopropyl-1,4-dihydro-4-oxo
    • 7-chloro-1-cyclopropyl-4-oxo-1,4-dihydroquinoline-3
    • Methyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylate
    • methyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
    • SCHEMBL8027968
    • Methyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
    • 104599-90-8
    • HS-4411
    • Methyl 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate
    • Methyl 7-chloro-6-fluoro-1-cyclopropyl-1,4-dihydrogen-4-Oxo-3-quinoline carboxylate
    • DTXSID101135788
    • Methyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinol Inecarboxylate
    • Inchi: 1S/C14H11ClFNO3/c1-20-14(19)9-6-17(7-2-3-7)12-5-10(15)11(16)4-8(12)13(9)18/h4-7H,2-3H2,1H3
    • InChI Key: BBKBWFXIVMBFON-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC2C(C(C(=O)OC)=CN(C=2C=1)C1CC1)=O)F

Computed Properties

  • Exact Mass: 295.04100
  • Monoisotopic Mass: 295.0411491g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 477
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 46.6?2

Experimental Properties

  • PSA: 48.30000
  • LogP: 2.91550

Methyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinol Inecarboxylate Production Method

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