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Gefitinib Impurity 35

CAT: 1299-RM-G062035-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G062035-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2089650-13-3
Synonyms
N- (3,4-dichlorophenyl) -7-methoxy-6- (3-morpholinopropoxy) quinazolin-4-amine
Molecular Formula
C22H24Cl2N4O3
Molecular Weight
463.36
Target Alternative Name
Gefitinib
Product Name Synonym
N- (3,4-dichlorophenyl) -7-methoxy-6- (3-morpholinopropoxy) quinazolin-4-amine

Chemical Information

N-(3,4-Dichlorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine
CAS Number2089650-13-3
PubChem CID74937126
IUPAC NameN-(3,4-dichlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
Molecular FormulaC22H24Cl2N4O3
Molecular Weight463.4
XLogP4.6
Topological Polar Surface Area68.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity543
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)Cl)Cl)OCCCN4CCOCC4
InChI
InChI=1S/C22H24Cl2N4O3/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
VSKQQUAAWOVMOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3,4-Dichlorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine
CAS: 2089650-13-3
CID: 74937126
Formula: C22H24Cl2N4O3
MW: 463.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.4
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass462.1225460
Monoisotopic Mass462.1225460
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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