2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine

C23H24FN5O2 — CID 91591860

IUPAC2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCCON=Cc1ccccc1F
InChIInChI=1S/C23H24FN5O2/c1-2-30-15-20-28-21-22(17-9-4-6-11-19(17)27-23(21)25)29(20)12-7-13-31-26-14-16-8-3-5-10-18(16)24/h3-6,8-11,14H,2,7,12-13,15H2,1H3,(H2,25,27)
InChIKeyYRQSZDFAANAHAZ-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.28
Rot. Bonds9

About 2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine

2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 91591860) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID91591860
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCCON=Cc1ccccc1F
InChIInChI=1S/C23H24FN5O2/c1-2-30-15-20-28-21-22(17-9-4-6-11-19(17)27-23(21)25)29(20)12-7-13-31-26-14-16-8-3-5-10-18(16)24/h3-6,8-11,14H,2,7,12-13,15H2,1H3,(H2,25,27)
InChIKeyYRQSZDFAANAHAZ-UHFFFAOYSA-N
XLogP4.28
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine (CID 91591860) is 2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3ccccc3c2n1CCCON=Cc1ccccc1F.
What is the InChIKey of 2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is YRQSZDFAANAHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-2-30-15-20-28-21-22(17-9-4-6-11-19(17)27-23(21)25)29(20)12-7-13-31-26-14-16-8-3-5-10-18(16)24/h3-6,8-11,14H,2,7,12-13,15H2,1H3,(H2,25,27).
What are the key properties of 2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine?
2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 421.48 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 91591860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).