Lapatinib Impurity 11

CAT: 1299-RM-L162011-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L162011-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

231278-20-9

Synonyms

N- (3-chloro-4- ((3-fluorobenzyl) oxy) phenyl) -6-iodoquinazolin-4-amine

Molecular Formula

C21H14ClFIN3O

Molecular Weight

505.71

Target Alternative Name

Lapatinib

Product Name Synonym

N- (3-chloro-4- ((3-fluorobenzyl) oxy) phenyl) -6-iodoquinazolin-4-amine

Chemical Information

4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-

CAS Number	231278-20-9
PubChem CID	10174519
IUPAC Name	N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinazolin-4-amine
Molecular Formula	C21H14ClFIN3O
Molecular Weight	505.7
XLogP	6.3
Topological Polar Surface Area	47
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	504

SMILES

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)I)Cl

InChI

InChI=1S/C21H14ClFIN3O/c22-18-10-16(5-7-20(18)28-11-13-2-1-3-14(23)8-13)27-21-17-9-15(24)4-6-19(17)25-12-26-21/h1-10,12H,11H2,(H,25,26,27)

InChIKey

UHFPFDMMKYQMLC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 231278-20-9

CID: 10174519

Formula: C21H14ClFIN3O

MW: 505.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	505.7
XLogP3	6.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	504.98542
Monoisotopic Mass	504.98542
Topological Polar Surface Area	47 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	504
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