Gefitinib Impurity 38

CAT: 1299-RM-G062038-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G062038-01Size:10 mg

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CAS Number

179688-53-0

Synonyms

7-methoxy-4-oxo-3,4-dihydroquinazolin-6-yl acetate

Molecular Formula

C11H10N2O4

Molecular Weight

234.21

Target Alternative Name

Gefitinib

Product Name Synonym

7-methoxy-4-oxo-3,4-dihydroquinazolin-6-yl acetate

Chemical Information

6-Acetoxy-7-methoxy-3H-quinazolin-4-one

CAS Number	179688-53-0
PubChem CID	135681960
IUPAC Name	(7-methoxy-4-oxo-3H-quinazolin-6-yl) acetate
Molecular Formula	C11H10N2O4
Molecular Weight	234.21
XLogP	0.4
Topological Polar Surface Area	77
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	355

SMILES

CC(=O)OC1=C(C=C2C(=C1)C(=O)NC=N2)OC

InChI

InChI=1S/C11H10N2O4/c1-6(14)17-10-3-7-8(4-9(10)16-2)12-5-13-11(7)15/h3-5H,1-2H3,(H,12,13,15)

InChIKey

SOLQIFINSOHAQD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 179688-53-0

CID: 135681960

Formula: C11H10N2O4

MW: 234.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.21
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	234.06405680
Monoisotopic Mass	234.06405680
Topological Polar Surface Area	77 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	355
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