3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol

C22H33N5O3 — CID 118451567

IUPAC3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNCCCO
InChIInChI=1S/C22H33N5O3/c1-4-29-14-18-26-19-20(16-8-5-6-9-17(16)25-21(19)23)27(18)15-22(2,3)30-13-11-24-10-7-12-28/h5-6,8-9,24,28H,4,7,10-15H2,1-3H3,(H2,23,25)
InChIKeyDONHJPUVQGGRIN-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.47
Rot. Bonds12

About 3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol

3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol (PubChem CID 118451567) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol
PubChem CID118451567
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC Name3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNCCCO
InChIInChI=1S/C22H33N5O3/c1-4-29-14-18-26-19-20(16-8-5-6-9-17(16)25-21(19)23)27(18)15-22(2,3)30-13-11-24-10-7-12-28/h5-6,8-9,24,28H,4,7,10-15H2,1-3H3,(H2,23,25)
InChIKeyDONHJPUVQGGRIN-UHFFFAOYSA-N
XLogP2.47
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol?
The IUPAC name of 3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol (CID 118451567) is 3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol.
What is the SMILES notation for 3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol?
The canonical SMILES for 3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol is CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNCCCO.
What is the InChIKey of 3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol?
The InChIKey is DONHJPUVQGGRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-4-29-14-18-26-19-20(16-8-5-6-9-17(16)25-21(19)23)27(18)15-22(2,3)30-13-11-24-10-7-12-28/h5-6,8-9,24,28H,4,7,10-15H2,1-3H3,(H2,23,25).
What are the key properties of 3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol?
3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol has a molecular weight of 415.54 g/mol, XLogP of 2.47, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethylamino]propan-1-ol is sourced from PubChem (CID 118451567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).