Indacaterol

C₂₄H₂₈N₂O₃ — CID 6918554

About Indacaterol

Indacaterol (PubChem CID 6918554) has the molecular formula C₂₄H₂₈N₂O₃ and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

• Compound Name: Indacaterol
• PubChem CID: 6918554
• Molecular Formula: C₂₄H₂₈N₂O₃
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.21
• IUPAC Name: 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
• SMILES: CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2
• InChI: InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
• InChIKey: QZZUEBNBZAPZLX-QFIPXVFZSA-N
• XLogP: 3.15
• TPSA: 85.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Indacaterol?

The IUPAC name of Indacaterol (CID 6918554) is 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one.

What is the SMILES notation for Indacaterol?

The canonical SMILES for Indacaterol is CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2.

What is the InChIKey of Indacaterol?

The InChIKey is QZZUEBNBZAPZLX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1.

What are the key properties of Indacaterol?

Indacaterol has a molecular weight of 392.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Indacaterol is sourced from PubChem (CID 6918554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6918554 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4183 — approved-drug record (CC BY-SA 4.0)

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