Molecules/4-((4-Amino-8-(4-((1E)-2-cyanoethenyl)-2,6-dimethylphenyl)-2-quinazolinyl)amino)benzonitrile
4-((4-Amino-8-(4-((1E)-2-cyanoethenyl)-2,6-dimethylphenyl)-2-quinazolinyl)amino)benzonitrile
4-[[4-amino-8-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]quinazolin-2-yl]amino]benzonitrile
Molecular Identity
4-((4-Amino-8-(4-((1E)-2-cyanoethenyl)-2,6-dimethylphenyl)-2-quinazolinyl)amino)benzonitrile
4-[[4-amino-8-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]quinazolin-2-yl]amino]benzonitrile
PubChem CID: 121448097
2D Structure
Properties
C26H20N6
Molecular Formula
416.50
Molecular Weight
g/mol
416.1749
Exact Mass
Da
5.3
XLogP
Above Lipinski threshold
111
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
741
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC(=C1C2=CC=CC3=C2N=C(N=C3N)NC4=CC=C(C=C4)C#N)C)C=CC#NIsomeric SMILES
SMILES: CC1=CC(=CC(=C1C2=CC=CC3=C2N=C(N=C3N)NC4=CC=C(C=C4)C#N)C)/C=C/C#NSynonyms(20)
1956373-71-9KAJ2CK6ZYE4-((4-Amino-8-(4-((1E)-2-cyanoethenyl)-2,6-dimethylphenyl)-2-quinazolinyl)amino)benzonitrileBenzonitrile, 4-((4-amino-8-(4-((1E)-2-cyanoethenyl)-2,6-dimethylphenyl)-2-quinazolinyl)amino)-RefChem:198528BavtavirineBavtavirinabavtavirine [INN]orb2277637CHEMBL5314504SCHEMBL17883861SCHEMBL24992028HKETUZQMIFPGNG-SNAWJCMRSA-NDA-50948HY-156599
Data from PubChem (NCBI)
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Molecular Structure
4-((4-Amino-8-(4-((1E)-2-cyanoethenyl)-2,6-dimethylphenyl)-2-quinazolinyl)amino)benzonitrile
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Drug Network
Trials and conditions connected to 4-((4-Amino-8-(4-((1E)-2-cyanoethenyl)-2,6-dimethylphenyl)-2-quinazolinyl)amino)benzonitrile
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