Gefitinib Impurity 73

CAT: 1299-RM-G062073-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G062073-01Size:10 mg

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CAS Number

214472-41-0

Synonyms

Methyl 2-amino-4-methoxy-5- (3-morpholinopropoxy) benzoate

Molecular Formula

C16H24N2O5

Molecular Weight

324.38

Target Alternative Name

Gefitinib

Product Name Synonym

Methyl 2-amino-4-methoxy-5- (3-morpholinopropoxy) benzoate

Chemical Information

Methyl 2-amino-4-methoxy-5-(3-morpholinopropoxy)benzoate

CAS Number	214472-41-0
PubChem CID	11666970
IUPAC Name	methyl 2-amino-4-methoxy-5-(3-morpholin-4-ylpropoxy)benzoate
Molecular Formula	C16H24N2O5
Molecular Weight	324.37
XLogP	1.6
Topological Polar Surface Area	83.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	23
Formal Charge	0
Complexity	362

SMILES

COC1=C(C=C(C(=C1)N)C(=O)OC)OCCCN2CCOCC2

InChI

InChI=1S/C16H24N2O5/c1-20-14-11-13(17)12(16(19)21-2)10-15(14)23-7-3-4-18-5-8-22-9-6-18/h10-11H,3-9,17H2,1-2H3

InChIKey

DFJJAQKKQNIWOC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 214472-41-0

CID: 11666970

Formula: C16H24N2O5

MW: 324.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	324.37
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	324.16852187
Monoisotopic Mass	324.16852187
Topological Polar Surface Area	83.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	362
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes