Gefitinib Impurity D

CAT: 1299-RM-G062004-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-G062004-01Size:10 mg

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CAS Number

153437-78-6

Synonyms

N- (3-chloro-4-fluorophenyl) -6,7-dimethoxyquinazolin-4-amine

Molecular Formula

C16H13ClFN3O2

Molecular Weight

333.74

Target Alternative Name

Gefitinib

Product Name Synonym

N- (3-chloro-4-fluorophenyl) -6,7-dimethoxyquinazolin-4-amine

Chemical Information

N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine

CAS Number	153437-78-6
PubChem CID	5329009
IUPAC Name	N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
Molecular Formula	C16H13ClFN3O2
Molecular Weight	333.74
XLogP	4.1
Topological Polar Surface Area	56.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	392

SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H,19,20,21)

InChIKey

VOPNWXZDJKCCRE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 153437-78-6

CID: 5329009

Formula: C16H13ClFN3O2

MW: 333.74

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	333.74
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	333.0680325
Monoisotopic Mass	333.0680325
Topological Polar Surface Area	56.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	392
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