(2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide

C27H37FN4O6 — CID 159773854

About (2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide

(2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide (PubChem CID 159773854) has the molecular formula C27H37FN4O6 and a molecular weight of 532.61 g/mol. Its IUPAC name is (2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide.

Molecular Properties

• Compound Name: (2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide
• PubChem CID: 159773854
• Molecular Formula: C27H37FN4O6
• Molecular Weight: 532.61 g/mol
• Exact Mass: 532.27
• IUPAC Name: (2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide
• SMILES: CCOCCOCC(=O)CC[C@@H](F)C(=O)Nc1nc2ccccc2c2c1nc(COCC)n2CC(C)(C)O
• InChI: InChI=1S/C27H37FN4O6/c1-5-36-13-14-38-15-18(33)11-12-20(28)26(34)31-25-23-24(19-9-7-8-10-21(19)29-25)32(17-27(3,4)35)22(30-23)16-37-6-2/h7-10,20,35H,5-6,11-17H2,1-4H3,(H,29,31,34)/t20-/m1/s1
• InChIKey: VSCRLHKTZBQDIG-HXUWFJFHSA-N
• XLogP: 3.57
• TPSA: 124.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.61
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
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)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide?

The IUPAC name of (2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide (CID 159773854) is (2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide.

What is the SMILES notation for (2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide?

The canonical SMILES for (2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide is CCOCCOCC(=O)CC[C@@H](F)C(=O)Nc1nc2ccccc2c2c1nc(COCC)n2CC(C)(C)O.

What is the InChIKey of (2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide?

The InChIKey is VSCRLHKTZBQDIG-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H37FN4O6/c1-5-36-13-14-38-15-18(33)11-12-20(28)26(34)31-25-23-24(19-9-7-8-10-21(19)29-25)32(17-27(3,4)35)22(30-23)16-37-6-2/h7-10,20,35H,5-6,11-17H2,1-4H3,(H,29,31,34)/t20-/m1/s1.

What are the key properties of (2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide?

(2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide has a molecular weight of 532.61 g/mol, XLogP of 3.57, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-6-(2-ethoxyethoxy)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-2-fluoro-5-oxohexanamide is sourced from PubChem (CID 159773854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).