Lot numbers can be found on the outside label of a product:
Quinoline-4-carboxamide
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CAS No. 4363-95-5
- Cat. No. CS-0095031
- Purity≥97%
- MDL No.MFCD00672908
*For research and further manufacturing use only, not for direct human use.
Structure of 4363-95-5
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General Information
- CAS No. 4363-95-5
- Cat. No. CS-0095031
- Purity ≥97%
- MDL No. MFCD00672908
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₈N₂O
- Molecular Weight 172.18
- Synonym(s) 4-Quinolinecarboxamide
- SMILES O=C(C1=CC=NC2=CC=CC=C12)N
Description
Quinoline-4-carboxamide delivers a rigid, electron-deficient heteroaromatic scaffold ideal for medicinal chemistry applications. This compound integrates readily into bioactive molecules, leveraging its planar structure and hydrogen-bonding capacity to enhance target binding affinity and metabolic stability in drug discovery campaigns.
Application
Quinoline-4-carboxamide serves as a versatile scaffold in medicinal chemistry, enabling rapid access to bioactive heterocycles through standard coupling and functionalization reactions. Its amide functionality offers favorable stability and solubility, while the quinoline core provides π-stacking and hydrogen-bonding capacity. The compound functions effectively in Suzuki-Miyaura and Buchwald-Hartwig couplings, facilitating the construction of complex molecular architectures under mild conditions. Ideal for lead optimization campaigns, it supports diverse derivatization with minimal purification challenges.
Synthesis
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Route1
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91-22-5 -
77287-34-4
- ~%
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5382-42-3 -
In-stock
4363-95-5
References
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Minisci, Francesco; Recupero, Francesco; Punta, Carlo; Gambarotti, Cristian; Antonietti, Fabrizio; Fontana, Francesca; Pedulli, Gian Franco Chemical Communications, 2002 , # 21 p. 2496 - 2497
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Route2
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In-stock
2973-27-5 - ~%
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In-stock
4363-95-5
References
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Hamada Yakugaku Zasshi, 1959 , vol. 79, p. 908,911, 913 Chem.Abstr., 1960 , p. 538
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Route3
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10447-29-7 - ~%
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In-stock
4363-95-5
References
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van der Kolf; van Leent Recueil des Travaux Chimiques des Pays-Bas, 1889 , vol. 8, p. 218
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H315-H319
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Precautionary Statements : P264-P280-P302+P352-P362+P364
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Quality Control
Computational Chemistry Data
- TPSA 55.98
- LogP 1.3337
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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