2-[(3-Cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl 3-methoxybenzoate

Base Information

• Chemical Name: 2-[(3-Cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl 3-methoxybenzoate
• CAS No.: 606101-81-9
• Molecular Formula: C22H21N3O3
• Molecular Weight: 375.42044
• DSSTox Substance ID: DTXSID201161518
• Mol file: 606101-81-9.mol

Synonyms:606101-81-9;2-[(3-Cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl 3-methoxybenzoate;DTXSID201161518;AKOS000688384

Chemical Property of 2-[(3-Cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl 3-methoxybenzoate

Chemical Property:

• PSA: 87.47000
• LogP: 3.42268
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 375.15829154
• Heavy Atom Count: 28
• Complexity: 575

Purity/Quality:

BENZOIC ACID, 3-METHOXY-, 2-[(3-CYANO-5,7-DIMETHYL-2-QUINOLINYL)AMINO]ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C=C(C(=NC2=C1)NCCOC(=O)C3=CC(=CC=C3)OC)C#N)C

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