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

C27H33N5O2 — CID 71472212

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

tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate (PubChem CID 71472212) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
• PubChem CID: 71472212
• Molecular Formula: C27H33N5O2
• Molecular Weight: 459.59 g/mol
• Exact Mass: 459.26
• IUPAC Name: tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)OC(C)(C)C)cc1
• InChI: InChI=1S/C27H33N5O2/c1-5-6-11-22-31-23-24(20-9-7-8-10-21(20)30-25(23)28)32(22)17-19-14-12-18(13-15-19)16-29-26(33)34-27(2,3)4/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H2,28,30)(H,29,33)
• InChIKey: XRPLRKBJUHZSRY-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 95.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.59
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate (CID 71472212) is tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate.

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

The canonical SMILES for tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)OC(C)(C)C)cc1.

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

The InChIKey is XRPLRKBJUHZSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-5-6-11-22-31-23-24(20-9-7-8-10-21(20)30-25(23)28)32(22)17-19-14-12-18(13-15-19)16-29-26(33)34-27(2,3)4/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H2,28,30)(H,29,33).

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

tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate has a molecular weight of 459.59 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 71472212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).