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Erlotinib Chloro Impurity

CAT: 1596-AR-E01723-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E01723-01Size:25 Units
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CAS Number
183322-18-1
Synonyms
4-chloro-6,7-bis (2-methoxyethoxy) quinazoline; Erlotinib Chloro Impurity; 4-Chloro-6,7-di (2-methoxyethoxy) quinazoline; 6,7-Bis (2-methoxyethoxy) -4-chloroquinazoline; PF-508367; CP-335963;4-Chloro-6,7-bis (2-methoxyethoxy) quinazoline
Molecular Formula
C14H17ClN2O4
Molecular Weight
312.76
API Name
Erlotinib

Chemical Information

4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline
CAS Number183322-18-1
PubChem CID11289942
IUPAC Name4-chloro-6,7-bis(2-methoxyethoxy)quinazoline
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75
XLogP2.1
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity298
SMILES
COCCOC1=C(C=C2C(=C1)C(=NC=N2)Cl)OCCOC
InChI
InChI=1S/C14H17ClN2O4/c1-18-3-5-20-12-7-10-11(16-9-17-14(10)15)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3
InChIKey
ZPJLDMNVDPGZIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-6,7-bis(2-methoxyethoxy)quinazoline
CAS: 183322-18-1
CID: 11289942
Formula: C14H17ClN2O4
MW: 312.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.75
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass312.0876847
Monoisotopic Mass312.0876847
Topological Polar Surface Area62.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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