tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate

C24H35N5O2 — CID 166933579

About tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate

tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate (PubChem CID 166933579) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate
• PubChem CID: 166933579
• Molecular Formula: C24H35N5O2
• Molecular Weight: 425.58 g/mol
• Exact Mass: 425.28
• IUPAC Name: tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)CNC(=O)OC(C)(C)C
• InChI: InChI=1S/C24H35N5O2/c1-7-8-13-18-28-19-20(16-11-9-10-12-17(16)27-21(19)25)29(18)15-24(5,6)14-26-22(30)31-23(2,3)4/h9-12H,7-8,13-15H2,1-6H3,(H2,25,27)(H,26,30)
• InChIKey: BOSJTKWBPNZTEE-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 95.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.58
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate?

The IUPAC name of tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate (CID 166933579) is tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate.

What is the SMILES notation for tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate?

The canonical SMILES for tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate is CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)CNC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate?

The InChIKey is BOSJTKWBPNZTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-7-8-13-18-28-19-20(16-11-9-10-12-17(16)27-21(19)25)29(18)15-24(5,6)14-26-22(30)31-23(2,3)4/h9-12H,7-8,13-15H2,1-6H3,(H2,25,27)(H,26,30).

What are the key properties of tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate?

tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate has a molecular weight of 425.58 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 166933579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).