Posenacaftor
8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[(1R)-1-(oxan-4-yl)ethoxy]quinoline-4-carboxylic acid
Molecular Identity
Posenacaftor
8-methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[(1R)-1-(oxan-4-yl)ethoxy]quinoline-4-carboxylic acid
PubChem CID: 129027688
2D Structure
Properties
C27H27NO5
Molecular Formula
445.50
Molecular Weight
g/mol
445.1889
Exact Mass
Da
5.5
XLogP
Above Lipinski threshold
81.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
681
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C2C(=C(C=C1)OC(C)C3CCOCC3)C(=CC(=N2)C4=C(C5=CC=CC=C5O4)C)C(=O)OIsomeric SMILES
SMILES: CC1=C2C(=C(C=C1)O[C@H](C)C3CCOCC3)C(=CC(=N2)C4=C(C5=CC=CC=C5O4)C)C(=O)OSynonyms(20)
Posenacaftor2095064-05-2Posenacaftor [USAN]BN5UT8I0T9UNII-BN5UT8I0T9Posenacaftor (USAN)POSENACAFTOR [INN]POSENACAFTOR [WHO-DD]4-QUINOLINECARBOXYLIC ACID, 8-METHYL-2-(3-METHYL-2-BENZOFURANYL)-5-((1R)-1-(TETRAHYDRO-2H-PYRAN-4-YL)ETHOXY)-RefChem:175328(R)-8-METHYL-2-(3-METHYLBENZOFURAN-2-YL)-5-(1-(TETRAHYDRO-2H-PYRAN-4-YL)ETHOXY)QUINOLINE-4-CARBOXYLATEPTI-801WHO 112768-Methyl-2-(3-methyl-1-benzofuran-2-yl)-5-[(1R)-1-(oxan-4-yl)ethoxy]quinoline-4-carboxylic acid4-Quinolinecarboxylic acid, 8-methyl-2-(3-methyl-2-benzofuranyl)-5-((1R)-1-(tetrahydro-2H-pyran-4-yl)ethoxy)
Data from PubChem (NCBI)
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