Icotinib
N-(3-ethynylphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
Molecular Identity
Icotinib
N-(3-ethynylphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
PubChem CID: 22024915
2D Structure
Properties
C22H21N3O4
Molecular Formula
391.40
Molecular Weight
g/mol
391.1532
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
74.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
553
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Icotinib610798-31-7BPI-20099G6U5L461QDTXSID202099524-((3-ethynylphenyl)amino)-6,7-benzo-12-crown-4-quinazoline(1,4,7,10)Tetraoxacyclododecino(2,3-g)quinazolin-4-amine, N-(3-ethynylphenyl)-7,8,10,11,13,14-hexahydro-N-(3-ethynylphenyl)-7H,8H,10H,11H,13H,14H-1,4,7,10-tetraoxacyclododeca[2,3-g]quinazolin-4-amineN-(3-ethynylphenyl)-7H,8H,10H,11H,13H,14H-1,4,7,10-tetraoxacyclododeca(2,3-g)quinazolin-4-amineRefChem:147674DTXCID70132443N-(3-ethynylphenyl)-7,8,10,11,13,14-hexahydro-[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4-amineMFCD22124501N-(3-ethynylphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amineCHEMBL2087361
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Icotinib
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