Olafertinib
N-[3-[2-[2,3-difluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]quinazolin-8-yl]phenyl]prop-2-enamide
Molecular Identity
Olafertinib
N-[3-[2-[2,3-difluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]quinazolin-8-yl]phenyl]prop-2-enamide
PubChem CID: 117909640
2D Structure
Properties
C29H28F2N6O2
Molecular Formula
530.60
Molecular Weight
g/mol
530.2242
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
93.6
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
9
H-Bond Acceptors
815
Complexity
SMILES
Canonical SMILES
SMILES: C=CC(=O)NC1=CC=CC(=C1)C2=CC=CC3=CN=C(N=C32)NC4=C(C(=C(C=C4)N5CCN(CC5)CCO)F)FIsomeric SMILES
SMILES: C=CC(=O)NC1=CC=CC(=C1)C2=CC=CC3=CN=C(N=C32)NC4=C(C(=C(C=C4)N5CCN(CC5)CCO)F)FSynonyms(20)
olafertinibRX-518CK-101OLAFERTINIB [INN]UNII-708TLB8J3YOLAFERTINIB [WHO-DD]RX518Example 153 [US20170050936A1]Example 153 (US20170050936A1)RefChem:168052CK 101EGFR Mutant-specific Inhibitor CK-1011660963-42-7N-(3-(2-((2,3-Difluoro-4-(4-(2-hydroxyethyl)piperazin-1-yl)phenyl)amino)quinazolin-8-yl)phenyl)acrylamideN-[3-[2-[2,3-difluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]quinazolin-8-yl]phenyl]prop-2-enamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Olafertinib
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