tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate

C29H42N4O3 — CID 68972148

About tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate (PubChem CID 68972148) has the molecular formula C29H42N4O3 and a molecular weight of 494.68 g/mol. Its IUPAC name is tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate
• PubChem CID: 68972148
• Molecular Formula: C29H42N4O3
• Molecular Weight: 494.68 g/mol
• Exact Mass: 494.33
• IUPAC Name: tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate
• SMILES: CCCc1nc2cnc3cc(OCCC4CCN(C(=O)OC(C)(C)C)CC4)ccc3c2n1CC(C)C
• InChI: InChI=1S/C29H42N4O3/c1-7-8-26-31-25-18-30-24-17-22(9-10-23(24)27(25)33(26)19-20(2)3)35-16-13-21-11-14-32(15-12-21)28(34)36-29(4,5)6/h9-10,17-18,20-21H,7-8,11-16,19H2,1-6H3
• InChIKey: WMYANKJWXASDBL-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 69.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.68
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate (CID 68972148) is tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate is CCCc1nc2cnc3cc(OCCC4CCN(C(=O)OC(C)(C)C)CC4)ccc3c2n1CC(C)C.

What is the InChIKey of tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate?

The InChIKey is WMYANKJWXASDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N4O3/c1-7-8-26-31-25-18-30-24-17-22(9-10-23(24)27(25)33(26)19-20(2)3)35-16-13-21-11-14-32(15-12-21)28(34)36-29(4,5)6/h9-10,17-18,20-21H,7-8,11-16,19H2,1-6H3.

What are the key properties of tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate?

tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate has a molecular weight of 494.68 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxyethyl]piperidine-1-carboxylate is sourced from PubChem (CID 68972148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).