Erlotinib 3D structure

Erlotinib (also called erlotinibum, Erlotinib free base) has the formula C₂₂H₂₃N₃O₄ and a molar mass of 393.4 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula: C₂₂H₂₃N₃O₄
Molar mass: 393.4 g/mol
PubChem CID: 176870
Heavy atoms: 29
Category: Common drugs

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name	N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
SMILES	`COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC`
PubChem CID	176870
Other names	erlotinibum, Erlotinib free base, Erlotinib Base, Erotinib, 4-Quinazol

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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