1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

C25H31N5O2 — CID 175941260

About 1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (PubChem CID 175941260) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
• PubChem CID: 175941260
• Molecular Formula: C25H31N5O2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.25
• IUPAC Name: 1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
• SMILES: CCOCc1nc2c(N)nc3cc(Cc4ccc(CN)cc4)ccc3c2n1CC(C)(C)O
• InChI: InChI=1S/C25H31N5O2/c1-4-32-14-21-29-22-23(30(21)15-25(2,3)31)19-10-9-18(12-20(19)28-24(22)27)11-16-5-7-17(13-26)8-6-16/h5-10,12,31H,4,11,13-15,26H2,1-3H3,(H2,27,28)
• InChIKey: RTMTVABHFDSJKW-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 112.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?

The IUPAC name of 1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (CID 175941260) is 1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.

What is the SMILES notation for 1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?

The canonical SMILES for 1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is CCOCc1nc2c(N)nc3cc(Cc4ccc(CN)cc4)ccc3c2n1CC(C)(C)O.

What is the InChIKey of 1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?

The InChIKey is RTMTVABHFDSJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-4-32-14-21-29-22-23(30(21)15-25(2,3)31)19-10-9-18(12-20(19)28-24(22)27)11-16-5-7-17(13-26)8-6-16/h5-10,12,31H,4,11,13-15,26H2,1-3H3,(H2,27,28).

What are the key properties of 1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?

1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol has a molecular weight of 433.56 g/mol, XLogP of 3.52, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 175941260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).