N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-4-carboxamide

Base Information

• Chemical Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-4-carboxamide
• CAS No.: 215803-78-4
• Molecular Formula: C28H30N4O
• Molecular Weight: 438.564
• DSSTox Substance ID: DTXSID10944188
• Nikkaji Number: J1.328.209I
• Wikipedia: SB-277,011-A
• Wikidata: Q7388910
• Pharos Ligand ID: CANCU32Z98P5
• ChEMBL ID: CHEMBL85606
• Mol file: 215803-78-4.mol

Synonyms:SB 277011;SB 277011-A;SB-277011;SB-277011-A;trans-N-(4-(2-(6-cyano-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl)cyclohexyl)-4-quinolinecarboxamide

Chemical Property of N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]quinoline-4-carboxamide

Chemical Property:

• Vapor Pressure: 2.61E-18mmHg at 25°C
• Boiling Point: 679.3°C at 760 mmHg
• PKA: 13.47±0.40(Predicted)
• Flash Point: 364.6°C
• PSA: 69.02000
• Density: 1.23g/cm³
• LogP: 5.17228
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 438.24196159
• Heavy Atom Count: 33
• Complexity: 708

Purity/Quality:

97% ^*data from raw suppliers

SB-277011 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=NC5=CC=CC=C45

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