1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide

C22H21IN2O — CID 131666989

IUPAC1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide
SMILESCCN1C=CC(=CC=C2C=Nc3ccc(OC)cc32)c2ccccc21.I
InChIInChI=1S/C22H20N2O.HI/c1-3-24-13-12-16(19-6-4-5-7-22(19)24)8-9-17-15-23-21-11-10-18(25-2)14-20(17)21;/h4-15H,3H2,1-2H3;1H
InChIKeyBWZODQDJTUVIDT-UHFFFAOYSA-N
MW456.33 g/mol
LogP5.85
Rot. Bonds3

About 1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide

1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide (PubChem CID 131666989) has the molecular formula C22H21IN2O and a molecular weight of 456.33 g/mol. Its IUPAC name is 1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide.

Molecular Properties

Compound Name1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide
PubChem CID131666989
Molecular FormulaC22H21IN2O
Molecular Weight456.33 g/mol
Exact Mass456.07
IUPAC Name1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide
SMILESCCN1C=CC(=CC=C2C=Nc3ccc(OC)cc32)c2ccccc21.I
InChIInChI=1S/C22H20N2O.HI/c1-3-24-13-12-16(19-6-4-5-7-22(19)24)8-9-17-15-23-21-11-10-18(25-2)14-20(17)21;/h4-15H,3H2,1-2H3;1H
InChIKeyBWZODQDJTUVIDT-UHFFFAOYSA-N
XLogP5.85
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.33
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes7A(2)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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CID 22085729
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(4Z)-1-ethyl-4-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline iodide
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4-[2-(1-octadecylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 100982111
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1-ethyl-4-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline
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2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol
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3-[4-hydroxy-5-[(5-methoxyindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 4974523
6-hydroxy-5-[(5-methoxyindol-3-ylidene)methyl]-1-(4-phenoxyphenyl)-2-sulfanylidenepyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide?
The IUPAC name of 1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide (CID 131666989) is 1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide.
What is the SMILES notation for 1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide?
The canonical SMILES for 1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide is CCN1C=CC(=CC=C2C=Nc3ccc(OC)cc32)c2ccccc21.I.
What is the InChIKey of 1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide?
The InChIKey is BWZODQDJTUVIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O.HI/c1-3-24-13-12-16(19-6-4-5-7-22(19)24)8-9-17-15-23-21-11-10-18(25-2)14-20(17)21;/h4-15H,3H2,1-2H3;1H.
What are the key properties of 1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide?
1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide has a molecular weight of 456.33 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(5-methoxyindol-3-ylidene)ethylidene]quinoline;hydroiodide is sourced from PubChem (CID 131666989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).