2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate

C28H34N6O2 — CID 135283177

About 2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate

2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate (PubChem CID 135283177) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: 2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
• PubChem CID: 135283177
• Molecular Formula: C28H34N6O2
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.27
• IUPAC Name: 2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
• SMILES: C=C(C)CNCCOC(=O)NCc1ccc(Cn2c(CCC)nc3c(N)nc4ccccc4c32)cc1
• InChI: InChI=1S/C28H34N6O2/c1-4-7-24-33-25-26(22-8-5-6-9-23(22)32-27(25)29)34(24)18-21-12-10-20(11-13-21)17-31-28(35)36-15-14-30-16-19(2)3/h5-6,8-13,30H,2,4,7,14-18H2,1,3H3,(H2,29,32)(H,31,35)
• InChIKey: IJWCHCDAWNQHHB-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 107.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate?

The IUPAC name of 2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate (CID 135283177) is 2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate.

What is the SMILES notation for 2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate?

The canonical SMILES for 2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate is C=C(C)CNCCOC(=O)NCc1ccc(Cn2c(CCC)nc3c(N)nc4ccccc4c32)cc1.

What is the InChIKey of 2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate?

The InChIKey is IJWCHCDAWNQHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-4-7-24-33-25-26(22-8-5-6-9-23(22)32-27(25)29)34(24)18-21-12-10-20(11-13-21)17-31-28(35)36-15-14-30-16-19(2)3/h5-6,8-13,30H,2,4,7,14-18H2,1,3H3,(H2,29,32)(H,31,35).

What are the key properties of 2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate?

2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate has a molecular weight of 486.62 g/mol, XLogP of 4.56, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylprop-2-enylamino)ethyl N-[[4-[(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 135283177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).