3-(4-(4-(3-Fluorobenzyloxy)-3-chlorophenylamino)quinazolin-6-yl)prop-2-yn-1-ol

HCID 67504239
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Basic information

Standard SMILES
OCC#Cc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
InChIKey
RYLNGENTLLNTBW-UHFFFAOYSA-N
Molecular formula
C24H17ClFN3O2
Average molar mass
433.9 g/mol
Monoisotopic mass
433.0993326

Names & identifiers

Preferred name
3-(4-(4-(3-Fluorobenzyloxy)-3-chlorophenylamino)quinazolin-6-yl)prop-2-yn-1-ol
IUPAC
3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-yn-1-ol

Names & synonyms

SCHEMBL2700695RYLNGENTLLNTBW-UHFFFAOYSA-N3-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)quinazolin-6-yl)prop-2-yn-1-ol

Database identifiers

PubChem CID
67504239

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
67.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
31

Related reactions

2 records
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Compound notes

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