Cas no 50458-77-0 (Isoquinoline-3-carboxamide)

Isoquinoline-3-carboxamide is a versatile organic compound with significant applications in medicinal chemistry. It offers a unique structural template for drug design, facilitating the development of novel compounds with diverse biological activities. This compound boasts high purity and excellent stability, making it ideal for research and development in pharmaceuticals and agrochemicals.
Isoquinoline-3-carboxamide structure
Isoquinoline-3-carboxamide structure
Product Name:Isoquinoline-3-carboxamide
CAS No:50458-77-0
MF:C10H8N2O
MW:172.18332195282
MDL:MFCD00160690
CID:364853
PubChem ID:14925627
Update Time:2025-07-22

Isoquinoline-3-carboxamide Chemical and Physical Properties

Names and Identifiers

    • 3-Isoquinolinecarboxamide
    • ISOQUINOLINE-3-CARBOXAMIDE
    • LogP
    • MFCD00160690
    • CS-0130015
    • FT-0742995
    • DTXSID90565532
    • SCHEMBL678365
    • J-521586
    • 50458-77-0
    • DB-071200
    • Isoquinoline-3-carboxamide
    • MDL： MFCD00160690
    • Inchi： 1S/C10H8N2O/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9/h1-6H,(H2,11,13)
    • InChI Key： KKSZSACCVDIWIE-UHFFFAOYSA-N
    • SMILES： O=C(C1C=C2C=CC=CC2=CN=1)N

Computed Properties

  • Exact Mass: 172.063662883g/mol
  • Monoisotopic Mass: 172.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 205
  • 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: 1.3
  • Topological Polar Surface Area: 56?2

Experimental Properties

  • Density: 1.271
  • Boiling Point: 440.862°C at 760 mmHg
  • Flash Point: 220.426°C
  • Refractive Index: 1.679
  • PSA: 56.97000
  • LogP: 2.21790

Isoquinoline-3-carboxamide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A189006782-250mg
Isoquinoline-3-carboxamide
 50458-77-0 97%
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 $185.11 2023-09-01
Alichem
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 $463.31 2023-09-01
Alichem
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 $1285.02 2023-09-01
Chemenu
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 $299 2021-08-05
Chemenu
CM125529-5g
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TRC
I198215-250mg
Isoquinoline-3-carboxamide
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250mg
 $ 405.00 2022-06-04
TRC
I198215-500mg
Isoquinoline-3-carboxamide
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500mg
 $ 665.00 2022-06-04
abcr
AB489548-250 mg
Isoquinoline-3-carboxamide; .
 50458-77-0
250MG
 €98.30 2023-04-20
abcr
AB489548-1 g
Isoquinoline-3-carboxamide; .
 50458-77-0
1g
 €150.40 2023-04-20
abcr
AB489548-5 g
Isoquinoline-3-carboxamide; .
 50458-77-0
5g
 €369.50 2023-04-20

Isoquinoline-3-carboxamide Related Literature

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