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Gefitinib Impurity 32

CAT: 1299-RM-G062032-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G062032-01Size:10 mg
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CAS Number
909863-33-8
Synonyms
N- (3-chloro-2-fluorophenyl) -7-methoxy-6- (3-morpholinopropoxy) quinazolin-4-amine
Molecular Formula
C22H24ClFN4O3
Molecular Weight
446.9
Target Alternative Name
Gefitinib
Product Name Synonym
N- (3-chloro-2-fluorophenyl) -7-methoxy-6- (3-morpholinopropoxy) quinazolin-4-amine

Chemical Information

Gefitinib Impurity 33
CAS Number909863-33-8
PubChem CID44416610
IUPAC NameN-(3-chloro-2-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
Molecular FormulaC22H24ClFN4O3
Molecular Weight446.9
XLogP4.1
Topological Polar Surface Area68.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity545
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OCCCN4CCOCC4
InChI
InChI=1S/C22H24ClFN4O3/c1-29-19-13-18-15(12-20(19)31-9-3-6-28-7-10-30-11-8-28)22(26-14-25-18)27-17-5-2-4-16(23)21(17)24/h2,4-5,12-14H,3,6-11H2,1H3,(H,25,26,27)
InChIKey
BIFFYWVZRGCPLC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gefitinib Impurity 33
CAS: 909863-33-8
CID: 44416610
Formula: C22H24ClFN4O3
MW: 446.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.9
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass446.1520965
Monoisotopic Mass446.1520965
Topological Polar Surface Area68.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity545
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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