N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide

C28H41N5O6 — CID 135228147

About N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide

N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide (PubChem CID 135228147) has the molecular formula C28H41N5O6 and a molecular weight of 543.67 g/mol. Its IUPAC name is N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide
• PubChem CID: 135228147
• Molecular Formula: C28H41N5O6
• Molecular Weight: 543.67 g/mol
• Exact Mass: 543.31
• IUPAC Name: N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide
• SMILES: CCOCc1nc2c(NC(=O)CCNC(=O)C(C)(C)OCC(C)(C)O)nc3ccccc3c2n1CC(C)(C)O
• InChI: InChI=1S/C28H41N5O6/c1-8-38-15-20-31-22-23(33(20)16-26(2,3)36)18-11-9-10-12-19(18)30-24(22)32-21(34)13-14-29-25(35)28(6,7)39-17-27(4,5)37/h9-12,36-37H,8,13-17H2,1-7H3,(H,29,35)(H,30,32,34)
• InChIKey: QVSOGRNKFQNKBP-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 147.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.67
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide?

The IUPAC name of N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide (CID 135228147) is N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide.

What is the SMILES notation for N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide?

The canonical SMILES for N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide is CCOCc1nc2c(NC(=O)CCNC(=O)C(C)(C)OCC(C)(C)O)nc3ccccc3c2n1CC(C)(C)O.

What is the InChIKey of N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide?

The InChIKey is QVSOGRNKFQNKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O6/c1-8-38-15-20-31-22-23(33(20)16-26(2,3)36)18-11-9-10-12-19(18)30-24(22)32-21(34)13-14-29-25(35)28(6,7)39-17-27(4,5)37/h9-12,36-37H,8,13-17H2,1-7H3,(H,29,35)(H,30,32,34).

What are the key properties of N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide?

N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide has a molecular weight of 543.67 g/mol, XLogP of 2.90, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-3-oxopropyl]-2-(2-hydroxy-2-methylpropoxy)-2-methylpropanamide is sourced from PubChem (CID 135228147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).