Neratinib Impurity 40

CAT: 1299-RM-N051840-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N051840-02Size:25 mg

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CAS Number

848133-76-6

Synonyms

N- (4-chloro-3-cyano-7-ethoxyquinolin-6-yl) acetamide

Molecular Formula

C14H12ClN3O2

Molecular Weight

289.72

Target Alternative Name

Neratinib

Product Name Synonym

N- (4-chloro-3-cyano-7-ethoxyquinolin-6-yl) acetamide

Chemical Information

N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide

CAS Number	848133-76-6
PubChem CID	11358234
IUPAC Name	N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl)acetamide
Molecular Formula	C14H12ClN3O2
Molecular Weight	289.71
XLogP	2.1
Topological Polar Surface Area	75
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	408

SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2Cl)C#N)NC(=O)C

InChI

InChI=1S/C14H12ClN3O2/c1-3-20-13-5-11-10(4-12(13)18-8(2)19)14(15)9(6-16)7-17-11/h4-5,7H,3H2,1-2H3,(H,18,19)

InChIKey

XDXGFTCQRAQEEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 848133-76-6

CID: 11358234

Formula: C14H12ClN3O2

MW: 289.71

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	289.71
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	289.0618043
Monoisotopic Mass	289.0618043
Topological Polar Surface Area	75 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	408
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