2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine

C35H34N4O — CID 175112105

IUPAC2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine
SMILESCCCn1c(COCC)nc2c(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc3ccccc3c21
InChIInChI=1S/C35H34N4O/c1-3-24-39-31(25-40-4-2)37-32-33(39)29-22-14-15-23-30(29)36-34(32)38-35(26-16-8-5-9-17-26,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h5-23H,3-4,24-25H2,1-2H3,(H,36,38)
InChIKeyIPQJTOHWAOAJLT-UHFFFAOYSA-N
MW526.68 g/mol
LogP7.93
Rot. Bonds10

About 2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine

2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine (PubChem CID 175112105) has the molecular formula C35H34N4O and a molecular weight of 526.68 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine
PubChem CID175112105
Molecular FormulaC35H34N4O
Molecular Weight526.68 g/mol
Exact Mass526.27
IUPAC Name2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine
SMILESCCCn1c(COCC)nc2c(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc3ccccc3c21
InChIInChI=1S/C35H34N4O/c1-3-24-39-31(25-40-4-2)37-32-33(39)29-22-14-15-23-30(29)36-34(32)38-35(26-16-8-5-9-17-26,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h5-23H,3-4,24-25H2,1-2H3,(H,36,38)
InChIKeyIPQJTOHWAOAJLT-UHFFFAOYSA-N
XLogP7.93
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.68
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine (CID 175112105) is 2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine is CCCn1c(COCC)nc2c(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc3ccccc3c21.
What is the InChIKey of 2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is IPQJTOHWAOAJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4O/c1-3-24-39-31(25-40-4-2)37-32-33(39)29-22-14-15-23-30(29)36-34(32)38-35(26-16-8-5-9-17-26,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h5-23H,3-4,24-25H2,1-2H3,(H,36,38).
What are the key properties of 2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine?
2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 526.68 g/mol, XLogP of 7.93, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-propyl-N-tritylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 175112105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).