tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane

C29H47N5O4 — CID 143030078

About tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane

tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane (PubChem CID 143030078) has the molecular formula C29H47N5O4 and a molecular weight of 529.73 g/mol. Its IUPAC name is tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane.

Molecular Properties

• Compound Name: tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane
• PubChem CID: 143030078
• Molecular Formula: C29H47N5O4
• Molecular Weight: 529.73 g/mol
• Exact Mass: 529.36
• IUPAC Name: tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane
• SMILES: CCCn1c(CC)nc2c(N)nc3cc(OCCNC(=O)OC(C)(C)C)ccc3c21.CCOCCC(C)C
• InChI: InChI=1S/C22H31N5O3.C7H16O/c1-6-11-27-17(7-2)26-18-19(27)15-9-8-14(13-16(15)25-20(18)23)29-12-10-24-21(28)30-22(3,4)5;1-4-8-6-5-7(2)3/h8-9,13H,6-7,10-12H2,1-5H3,(H2,23,25)(H,24,28);7H,4-6H2,1-3H3
• InChIKey: KCEWYJPLJSSTHM-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 113.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.73
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane?

The IUPAC name of tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane (CID 143030078) is tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane.

What is the SMILES notation for tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane?

The canonical SMILES for tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane is CCCn1c(CC)nc2c(N)nc3cc(OCCNC(=O)OC(C)(C)C)ccc3c21.CCOCCC(C)C.

What is the InChIKey of tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane?

The InChIKey is KCEWYJPLJSSTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3.C7H16O/c1-6-11-27-17(7-2)26-18-19(27)15-9-8-14(13-16(15)25-20(18)23)29-12-10-24-21(28)30-22(3,4)5;1-4-8-6-5-7(2)3/h8-9,13H,6-7,10-12H2,1-5H3,(H2,23,25)(H,24,28);7H,4-6H2,1-3H3.

What are the key properties of tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane?

tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane has a molecular weight of 529.73 g/mol, XLogP of 6.11, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane is sourced from PubChem (CID 143030078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).