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Gefitinib Impurity G

CAT: 1299-RM-G062007-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G062007-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
847949-56-8
Synonyms
2- ((3- ((4- ((3-chloro-4-fluorophenyl) amino) -7-methoxyquinazolin-6-yl) oxy) propyl) amino) ethanol
Molecular Formula
C20H22ClFN4O3
Molecular Weight
420.87
Target Alternative Name
Gefitinib
Product Name Synonym
2- ((3- ((4- ((3-chloro-4-fluorophenyl) amino) -7-methoxyquinazolin-6-yl) oxy) propyl) amino) ethanol

Chemical Information

3-Desmorpholinyl-3-hydroxyethylamino Gefitinib
CAS Number847949-56-8
PubChem CID11235504
IUPAC Name2-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]ethanol
Molecular FormulaC20H22ClFN4O3
Molecular Weight420.9
XLogP3.3
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity481
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCNCCO
InChI
InChI=1S/C20H22ClFN4O3/c1-28-18-11-17-14(10-19(18)29-8-2-5-23-6-7-27)20(25-12-24-17)26-13-3-4-16(22)15(21)9-13/h3-4,9-12,23,27H,2,5-8H2,1H3,(H,24,25,26)
InChIKey
WDGXWUJUPXLCDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Desmorpholinyl-3-hydroxyethylamino Gefitinib
CAS: 847949-56-8
CID: 11235504
Formula: C20H22ClFN4O3
MW: 420.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.9
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass420.1364464
Monoisotopic Mass420.1364464
Topological Polar Surface Area88.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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