3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide

C₁₇H₂₃N₃O₃ — CID 58429484

About 3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide

3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide (PubChem CID 58429484) has the molecular formula C₁₇H₂₃N₃O₃ and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide.

Molecular Properties

• Compound Name: 3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide
• PubChem CID: 58429484
• Molecular Formula: C₁₇H₂₃N₃O₃
• Molecular Weight: 317.39 g/mol
• Exact Mass: 317.17
• IUPAC Name: 3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide
• SMILES: CCCNC(=O)C(C)(C)COc1cccc2c1C(N)=NC(=O)C2
• InChI: InChI=1S/C17H23N3O3/c1-4-8-19-16(22)17(2,3)10-23-12-7-5-6-11-9-13(21)20-15(18)14(11)12/h5-7H,4,8-10H2,1-3H3,(H,19,22)(H2,18,20,21)
• InChIKey: WUTGPRNWUHDQMY-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 93.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.39
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide?

The IUPAC name of 3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide (CID 58429484) is 3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide.

What is the SMILES notation for 3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide?

The canonical SMILES for 3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide is CCCNC(=O)C(C)(C)COc1cccc2c1C(N)=NC(=O)C2.

What is the InChIKey of 3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide?

The InChIKey is WUTGPRNWUHDQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-8-19-16(22)17(2,3)10-23-12-7-5-6-11-9-13(21)20-15(18)14(11)12/h5-7H,4,8-10H2,1-3H3,(H,19,22)(H2,18,20,21).

What are the key properties of 3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide?

3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide has a molecular weight of 317.39 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-amino-3-oxo-4H-isoquinolin-8-yl)oxy]-2,2-dimethyl-N-propylpropanamide is sourced from PubChem (CID 58429484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58429484 — identifiers, structure, computed properties (public domain)

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