4-(6-Chloro-2,3-methylenedioxyanilino)-7-[(2r)-2,3-epoxypropoxy]-tetrahydropyran-4-yloxyquinazoline

HCID 87503548
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Basic information

Standard SMILES
Clc1ccc2c(c1Nc1nc(OC3CCOCC3)nc3cc(OC[C@H]4CO4)ccc13)OCO2
InChIKey
VYYLKEIFDGWDRW-HNNXBMFYSA-N
Molecular formula
C23H22ClN3O6
Average molar mass
471.9 g/mol
Monoisotopic mass
471.1197131

Names & identifiers

Preferred name
4-(6-Chloro-2,3-methylenedioxyanilino)-7-[(2r)-2,3-epoxypropoxy]-tetrahydropyran-4-yloxyquinazoline
IUPAC
N-(5-chloro-1,3-benzodioxol-4-yl)-2-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine

Names & synonyms

SCHEMBL3277260VYYLKEIFDGWDRW-HNNXBMFYSA-N4-(6-chloro-2,3-methylenedioxyanilino)-7-[(2r)-2,3-epoxypropoxy]-tetrahydropyran-4-yloxyquinazoline

Database identifiers

PubChem CID
87503548

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
96.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
33

Related reactions

1 records
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Compound notes

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