(2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide

C26H36FN5O6 — CID 158693634

About (2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide

(2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide (PubChem CID 158693634) has the molecular formula C26H36FN5O6 and a molecular weight of 533.60 g/mol. Its IUPAC name is (2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide.

Molecular Properties

• Compound Name: (2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide
• PubChem CID: 158693634
• Molecular Formula: C26H36FN5O6
• Molecular Weight: 533.60 g/mol
• Exact Mass: 533.26
• IUPAC Name: (2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide
• SMILES: CCOCCOCC(=O)NC[C@@H](F)C(=O)Nc1nc2ccccc2c2c1nc(COCC)n2CC(C)(C)O
• InChI: InChI=1S/C26H36FN5O6/c1-5-36-11-12-38-15-21(33)28-13-18(27)25(34)31-24-22-23(17-9-7-8-10-19(17)29-24)32(16-26(3,4)35)20(30-22)14-37-6-2/h7-10,18,35H,5-6,11-16H2,1-4H3,(H,28,33)(H,29,31,34)/t18-/m1/s1
• InChIKey: IGQVAZOOJZJNKG-GOSISDBHSA-N
• XLogP: 2.34
• TPSA: 136.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.60
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide?

The IUPAC name of (2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide (CID 158693634) is (2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide.

What is the SMILES notation for (2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide?

The canonical SMILES for (2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide is CCOCCOCC(=O)NC[C@@H](F)C(=O)Nc1nc2ccccc2c2c1nc(COCC)n2CC(C)(C)O.

What is the InChIKey of (2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide?

The InChIKey is IGQVAZOOJZJNKG-GOSISDBHSA-N. The full InChI is InChI=1S/C26H36FN5O6/c1-5-36-11-12-38-15-21(33)28-13-18(27)25(34)31-24-22-23(17-9-7-8-10-19(17)29-24)32(16-26(3,4)35)20(30-22)14-37-6-2/h7-10,18,35H,5-6,11-16H2,1-4H3,(H,28,33)(H,29,31,34)/t18-/m1/s1.

What are the key properties of (2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide?

(2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide has a molecular weight of 533.60 g/mol, XLogP of 2.34, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[[2-(2-ethoxyethoxy)acetyl]amino]-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoropropanamide is sourced from PubChem (CID 158693634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).