Icotinib Impurity 4

CAT: 1299-RM-I365004-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I365004-02Size:25 mg

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CAS Number

1204313-57-4

Synonyms

7,8,10,11,13,14-hexahydro-[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4 (3H) -one

Molecular Formula

C14H16N2O5

Molecular Weight

292.29

Target Alternative Name

Icotinib

Product Name Synonym

7,8,10,11,13,14-hexahydro-[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4 (3H) -one

Chemical Information

7,8,10,11,13,14-Hexahydro-[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4(3H)-one

CAS Number	1204313-57-4
PubChem CID	135895345
IUPAC Name	2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,19-tetraen-18-one
Molecular Formula	C14H16N2O5
Molecular Weight	292.29
XLogP	0.1
Topological Polar Surface Area	78.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	21
Formal Charge	0
Complexity	390

SMILES

C1COCCOC2=C(C=C3C(=C2)N=CNC3=O)OCCO1

InChI

InChI=1S/C14H16N2O5/c17-14-10-7-12-13(8-11(10)15-9-16-14)21-6-4-19-2-1-18-3-5-20-12/h7-9H,1-6H2,(H,15,16,17)

InChIKey

FDCPITXVFMPESG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1204313-57-4

CID: 135895345

Formula: C14H16N2O5

MW: 292.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	292.29
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	292.10592162
Monoisotopic Mass	292.10592162
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	390
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

Catalog	Name
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RM-I365005-01	Icotinib Impurity 5
RM-I365001-01	Icotinib Impurity 1
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