Cas no 29197-45-3 (4-Quinolinecarboxamide,2-phenyl-)

4-Quinolinecarboxamide,2-phenyl- structure
29197-45-3 structure
Product Name:4-Quinolinecarboxamide,2-phenyl-
CAS No:29197-45-3
MF:C16H12N2O
MW:248.27928352356
CID:287033
PubChem ID:185680
Update Time:2025-04-19

4-Quinolinecarboxamide,2-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 4-Quinolinecarboxamide,2-phenyl-
    • 2-phenyl-4-quinolinecarboxamide
    • 2-Phenylquinoline-4-carboxamide
    • SR-01000222736
    • AB00100285-01
    • SCHEMBL379807
    • SB69725
    • 2-Phenylchinolin-4-carbonsaureamid
    • AKOS000271682
    • Oprea1_740685
    • SR-01000222736-1
    • AOLMGSAMTRTYEX-UHFFFAOYSA-N
    • DTXSID70951792
    • 2-Phenylquinoline-4-carboximidic acid
    • CS-0306309
    • HMS1771P12
    • Z33546381
    • 29197-45-3
    • Inchi: 1S/C16H12N2O/c17-16(19)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H2,17,19)
    • InChI Key: AOLMGSAMTRTYEX-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(C2C=CC=CC=2)N=C2C=CC=CC=12)N

Computed Properties

  • Exact Mass: 248.09506
  • Monoisotopic Mass: 248.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 325
  • 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: 2.7
  • Topological Polar Surface Area: 56?2

Experimental Properties

  • Density: 1.236
  • Boiling Point: 470.9°C at 760 mmHg
  • Flash Point: 238.6°C
  • Refractive Index: 1.678
  • PSA: 55.98

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