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Gefitinib Impurity 59

CAT: 1299-RM-G062059-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G062059-01Size:10 mg
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CAS Number
184475-50-1
Synonyms
N- (3,4-difluorophenyl) -7-methoxy-6- (3-morpholinopropoxy) quinazolin-4-amine
Molecular Formula
C22H24F2N4O3
Molecular Weight
430.45
Target Alternative Name
Gefitinib
Product Name Synonym
N- (3,4-difluorophenyl) -7-methoxy-6- (3-morpholinopropoxy) quinazolin-4-amine

Chemical Information

N-(3,4-Difluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine
CAS Number184475-50-1
PubChem CID19077510
IUPAC NameN-(3,4-difluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
Molecular FormulaC22H24F2N4O3
Molecular Weight430.4
XLogP3.6
Topological Polar Surface Area68.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity543
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)F)OCCCN4CCOCC4
InChI
InChI=1S/C22H24F2N4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-17(23)18(24)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
InChIKey
JACDFLVHUYYSBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3,4-Difluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine
CAS: 184475-50-1
CID: 19077510
Formula: C22H24F2N4O3
MW: 430.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass430.18164696
Monoisotopic Mass430.18164696
Topological Polar Surface Area68.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity543
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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