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Desethynyl Erlotinib

CAT: 0572-TRC-D290590-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D290590-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1145671-52-8
Synonyms
Desethynyl Erlotinib; 4-Quinazolinamine, 6,7-bis(2-methoxyethoxy)-N-phenyl-; 6,7-Bis(2-methoxyethoxy)-N-phenyl-4-quinazolinamine; 6,7-Bis(2-methoxyethoxy)-N-phenylquinazolin-4-amine; Desethynyl Erlotinib; Desethynylerlotinib
Hazard Statement
No Data Available
Smiles
COCCOc1cc2ncnc(Nc3ccccc3)c2cc1OCCOC
Molecular Formula
C20 H23 N3 O4
Molecular Weight
369.414
InChI
InChI=1S/C20H23N3O4/c1-24-8-10-26-18-12-16-17(13-19(18)27-11-9-25-2)21-14-22-20(16)23-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,21,22,23)
Additionnal Information
IUPAC name: 6,7-bis(2-methoxyethoxy)-N-phenylquinazolin-4-amine
Shipping Conditions
Room Temperature

Chemical Information

6,7-bis(2-methoxyethoxy)-N-phenylquinazolin-4-amine
CAS Number1145671-52-8
PubChem CID58735307
IUPAC Name6,7-bis(2-methoxyethoxy)-N-phenylquinazolin-4-amine
Molecular FormulaC20H23N3O4
Molecular Weight369.4
XLogP3.1
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity409
SMILES
COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC=C3)OCCOC
InChI
InChI=1S/C20H23N3O4/c1-24-8-10-26-18-12-16-17(13-19(18)27-11-9-25-2)21-14-22-20(16)23-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H,21,22,23)
InChIKey
FIEPRWDRWNAAFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-bis(2-methoxyethoxy)-N-phenylquinazolin-4-amine
CAS: 1145671-52-8
CID: 58735307
Formula: C20H23N3O4
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass369.16885622
Monoisotopic Mass369.16885622
Topological Polar Surface Area74.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity409
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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