Gefitinib Impurity C

CAT: 1299-RM-G062003-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G062003-01Size:10 mg

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CAS Number

199327-61-2

Synonyms

7-methoxy-6- (3-morpholinopropoxy) quinazolin-4 (1H) -one

Molecular Formula

C16H21N3O4

Molecular Weight

319.36

Target Alternative Name

Gefitinib

Product Name Synonym

7-methoxy-6- (3-morpholinopropoxy) quinazolin-4 (1H) -one

Chemical Information

7-Methoxy-6-(3-morpholin-4-yl-propoxy)-3H-quinazolin-4-one

CAS Number	199327-61-2
PubChem CID	135399673
IUPAC Name	7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
Molecular Formula	C16H21N3O4
Molecular Weight	319.36
XLogP	0.7
Topological Polar Surface Area	72.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	426

SMILES

COC1=C(C=C2C(=C1)N=CNC2=O)OCCCN3CCOCC3

InChI

InChI=1S/C16H21N3O4/c1-21-14-10-13-12(16(20)18-11-17-13)9-15(14)23-6-2-3-19-4-7-22-8-5-19/h9-11H,2-8H2,1H3,(H,17,18,20)

InChIKey

WFUBWLXSYCFZEH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 199327-61-2

CID: 135399673

Formula: C16H21N3O4

MW: 319.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	319.36
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	319.15320616
Monoisotopic Mass	319.15320616
Topological Polar Surface Area	72.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	426
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