6,7-diethoxy-N-[3-fluoro-5-(trifluoromethyl)phenyl]quinazolin-4-amine

HCID 11618876

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Basic information

Standard SMILES: CCOc1cc2ncnc(Nc3cc(F)cc(C(F)(F)F)c3)c2cc1OCC
InChIKey: DGTWQPPUCICJEN-UHFFFAOYSA-N
Molecular formula: C19H17F4N3O2
Average molar mass: 395.3 g/mol
Monoisotopic mass: 395.12568944

Names & identifiers

Preferred name: 6,7-diethoxy-N-[3-fluoro-5-(trifluoromethyl)phenyl]quinazolin-4-amine
IUPAC: 6,7-diethoxy-N-[3-fluoro-5-(trifluoromethyl)phenyl]quinazolin-4-amine

Names & synonyms

CHEMBL1203935CHEMBL223117DTXSID208783846,7-diethoxy-N-[3-fluoro-5-(trifluoromethyl)phenyl]quinazolin-4-amineBDBM503709436,7-DIETHOXY-4-(3-FLUORO-5-TRIFL-ANILINO)-QUINAZ

Database identifiers

PubChem CID: 11618876
DTXSID: DTXSID20878384
ChEMBL: CHEMBL1203935、CHEMBL223117

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 56.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 496

Experimental & physicochemical properties

LogP5.49

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Compound notes

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