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Details

Stereochemistry ACHIRAL
Molecular Formula C23H25N3O4
Molecular Weight 407.4623
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Methyl erlotinib

SMILES

COCCOC1=CC2=NC=NC(NC3=CC=C(C)C(=C3)C#C)=C2C=C1OCCOC

InChI

InChIKey=PENVNSXCNXIPIF-UHFFFAOYSA-N
InChI=1S/C23H25N3O4/c1-5-17-12-18(7-6-16(17)2)26-23-19-13-21(29-10-8-27-3)22(30-11-9-28-4)14-20(19)24-15-25-23/h1,6-7,12-15H,8-11H2,2-4H3,(H,24,25,26)

HIDE SMILES / InChI

Molecular Formula C23H25N3O4
Molecular Weight 407.4623
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:45:52 GMT 2025
Edited
by admin
on Wed Apr 02 17:45:52 GMT 2025
Record UNII
ZC8GRP8M2B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Methyl erlotinib
Common Name English
4-Quinazolinamine, N-(3-ethynyl-4-methylphenyl)-6,7-bis(2-methoxyethoxy)-
Preferred Name English
N-(3-Ethynyl-4-methylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine
Systematic Name English
N-(3-ethynyl-4-methylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
Systematic Name English
Code System Code Type Description
CAS
1346601-52-2
Created by admin on Wed Apr 02 17:45:52 GMT 2025 , Edited by admin on Wed Apr 02 17:45:52 GMT 2025
PRIMARY
PUBCHEM
71750333
Created by admin on Wed Apr 02 17:45:52 GMT 2025 , Edited by admin on Wed Apr 02 17:45:52 GMT 2025
PRIMARY
FDA UNII
ZC8GRP8M2B
Created by admin on Wed Apr 02 17:45:52 GMT 2025 , Edited by admin on Wed Apr 02 17:45:52 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT