Neratinib Impurity 4

CAT: 1299-RM-N051804-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N051804-02Size:25 mg

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CAS Number

1144516-20-0

Synonyms

N- (4- ((3-chloro-4- (pyridin-2-ylmethoxy) phenyl) amino) -3-cyano-7-ethoxyquinolin-6-yl) formamide

Molecular Formula

C25H20ClN5O3

Molecular Weight

473.91

Target Alternative Name

Neratinib

Product Name Synonym

N- (4- ((3-chloro-4- (pyridin-2-ylmethoxy) phenyl) amino) -3-cyano-7-ethoxyquinolin-6-yl) formamide

Chemical Information

N-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]formamide

CAS Number	1144516-20-0
PubChem CID	57775610
IUPAC Name	N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]formamide
Molecular Formula	C25H20ClN5O3
Molecular Weight	473.9
XLogP	4.6
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	34
Formal Charge	0
Complexity	705

SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC=O

InChI

InChI=1S/C25H20ClN5O3/c1-2-33-24-11-21-19(10-22(24)30-15-32)25(16(12-27)13-29-21)31-17-6-7-23(20(26)9-17)34-14-18-5-3-4-8-28-18/h3-11,13,15H,2,14H2,1H3,(H,29,31)(H,30,32)

InChIKey

DHEYZLWFAKSQIZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1144516-20-0

CID: 57775610

Formula: C25H20ClN5O3

MW: 473.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	473.9
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	473.1254672
Monoisotopic Mass	473.1254672
Topological Polar Surface Area	109 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	705
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

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Neratinib Impurity 4

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