Cas no 1234616-41-1 (Quinazoline-7-carboxylic acid)

Quinazoline-7-carboxylic acid is a heterocyclic organic compound featuring a quinazoline core with a carboxylic acid functional group at the 7-position. This structure imparts versatility in synthetic applications, particularly as a key intermediate in pharmaceuticals and agrochemicals. Its carboxylic acid moiety enables facile derivatization, making it valuable for constructing more complex molecules. The compound exhibits stability under standard conditions and is compatible with various reaction conditions, including amidation and esterification. Its well-defined reactivity profile and high purity make it suitable for research and industrial use in drug discovery and material science. Proper handling and storage are recommended to maintain its integrity.
Quinazoline-7-carboxylic acid structure
Quinazoline-7-carboxylic acid structure
Product Name:Quinazoline-7-carboxylic acid
CAS No:1234616-41-1
MF:C9H6N2O2
MW:174.156141757965
MDL:MFCD17015871
CID:2086518
PubChem ID:17852343
Update Time:2025-10-19

Quinazoline-7-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Quinazoline-7-carboxylic Acid
    • AK170587
    • 7-quinazolinecarboxylic acid
    • Quinazoline-7-carboxylicacid
    • FCH1189380
    • PB31828
    • EN300-7389189
    • AS-33438
    • DTXSID501309082
    • AKOS024056440
    • CS-0048717
    • SY259234
    • MFCD17015871
    • SCHEMBL12466410
    • DB-144455
    • 1234616-41-1
    • Quinazoline-7-carboxylic acid
    • MDL: MFCD17015871
    • Inchi: 1S/C9H6N2O2/c12-9(13)6-1-2-7-4-10-5-11-8(7)3-6/h1-5H,(H,12,13)
    • InChI Key: SRKXVESHUPPYMO-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC2=CN=CN=C2C=1)=O

Computed Properties

  • Exact Mass: 174.042927438g/mol
  • Monoisotopic Mass: 174.042927438g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 208
  • 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: 0.6
  • Topological Polar Surface Area: 63.1

Quinazoline-7-carboxylic acid Security Information

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