Libvatrep
4-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
Molecular Identity
Libvatrep
4-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
PubChem CID: 25138363
2D Structure
Properties
C18H15N3O2
Molecular Formula
305.30
Molecular Weight
g/mol
305.1164
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
76.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
540
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1=NC2=C(C=CC(=C2)O)C(=O)N1C3=CC=C(C=C3)C#NIsomeric SMILES
SMILES: CC(C)C1=NC2=C(C=CC(=C2)O)C(=O)N1C3=CC=C(C=C3)C#NSynonyms(20)
871814-52-7LibvatrepLibvatrep [INN]6W8B801TZMBenzonitrile, 4-[7-hydroxy-2-(1-methylethyl)-4-oxo-3(4H)-quinazolinyl]-4-(7-Hydroxy-4-oxo-2-(propan-2-yl)quinazolin-3(4H)-yl)benzonitrileBenzonitrile, 4-(7-hydroxy-2-(1-methylethyl)-4-oxo-3(4H)-quinazolinyl)-RefChem:153359Vanilloid receptor antagonist 14-(7-HYDROXY-2-ISOPROPYL-4-OXOQUINAZOLIN-3(4H)-YL)BENZONITRILEMFCD18711490saf312CHEMBL54048994-(7-hydroxy-2-isopropyl-4-oxo-4H-quinazolin-3-yl)-benzonitrile4-(7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
Data from PubChem (NCBI)
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