Gefitinib Impurity 50

CAT: 1299-RM-G062050-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G062050-01Size:10 mg

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CAS Number

246512-44-7

Synonyms

2-amino-4-methoxy-5- (3-morpholinopropoxy) benzamide

Molecular Formula

C15H23N3O4

Molecular Weight

309.36

Target Alternative Name

Gefitinib

Product Name Synonym

2-amino-4-methoxy-5- (3-morpholinopropoxy) benzamide

Chemical Information

2-Amino-4-methoxy-5-(3-morpholinopropoxy)benzamide

CAS Number	246512-44-7
PubChem CID	11638144
IUPAC Name	2-amino-4-methoxy-5-(3-morpholin-4-ylpropoxy)benzamide
Molecular Formula	C15H23N3O4
Molecular Weight	309.36
XLogP	0.6
Topological Polar Surface Area	100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	350

SMILES

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

InChI

InChI=1S/C15H23N3O4/c1-20-13-10-12(16)11(15(17)19)9-14(13)22-6-2-3-18-4-7-21-8-5-18/h9-10H,2-8,16H2,1H3,(H2,17,19)

InChIKey

HFUBNPPCNQAACT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 246512-44-7

CID: 11638144

Formula: C15H23N3O4

MW: 309.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.36
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	309.16885622
Monoisotopic Mass	309.16885622
Topological Polar Surface Area	100 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	350
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