2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide

C24H21IN2O2 — CID 19209260

IUPAC2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide
SMILESCCc1ccccc1NC1=C([n+]2ccc(C)cc2)C(=O)c2ccccc2C1=O.[I-]
InChIInChI=1S/C24H20N2O2.HI/c1-3-17-8-4-7-11-20(17)25-21-22(26-14-12-16(2)13-15-26)24(28)19-10-6-5-9-18(19)23(21)27;/h4-15H,3H2,1-2H3;1H
InChIKeyHIGKWFSTKTYBFV-UHFFFAOYSA-N
MW496.35 g/mol
LogP1.21
Rot. Bonds4

About 2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide

2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide (PubChem CID 19209260) has the molecular formula C24H21IN2O2 and a molecular weight of 496.35 g/mol. Its IUPAC name is 2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide.

Molecular Properties

Compound Name2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide
PubChem CID19209260
Molecular FormulaC24H21IN2O2
Molecular Weight496.35 g/mol
Exact Mass496.06
IUPAC Name2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide
SMILESCCc1ccccc1NC1=C([n+]2ccc(C)cc2)C(=O)c2ccccc2C1=O.[I-]
InChIInChI=1S/C24H20N2O2.HI/c1-3-17-8-4-7-11-20(17)25-21-22(26-14-12-16(2)13-15-26)24(28)19-10-6-5-9-18(19)23(21)27;/h4-15H,3H2,1-2H3;1H
InChIKeyHIGKWFSTKTYBFV-UHFFFAOYSA-N
XLogP1.21
TPSA50.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione
CID 4040800
2-(4-chloroanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione
CID 19209275
2-(2,6-diethylanilino)-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione
CID 19209220
2-(3-methylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione
CID 19209254
2-(4-bromoanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione
CID 19209295
2-(3,5-dichloroanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione
CID 19209277
2-(2,4-dimethylanilino)-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione
CID 19209206
2-(4-methylpyridin-1-ium-1-yl)-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione
CID 4545636
2-(3,5-dimethylpyridin-1-ium-1-yl)-3-(4-methylanilino)naphthalene-1,4-dione iodide
CID 19209307
2-(4-chloro-2-methylanilino)-3-pyridin-1-ium-1-ylnaphthalene-1,4-dione
CID 19209247
5-N-(2-ethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027346
2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione
CID 163693095

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide?
The IUPAC name of 2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide (CID 19209260) is 2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide.
What is the SMILES notation for 2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide?
The canonical SMILES for 2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide is CCc1ccccc1NC1=C([n+]2ccc(C)cc2)C(=O)c2ccccc2C1=O.[I-].
What is the InChIKey of 2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide?
The InChIKey is HIGKWFSTKTYBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2.HI/c1-3-17-8-4-7-11-20(17)25-21-22(26-14-12-16(2)13-15-26)24(28)19-10-6-5-9-18(19)23(21)27;/h4-15H,3H2,1-2H3;1H.
What are the key properties of 2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide?
2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide has a molecular weight of 496.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide is sourced from PubChem (CID 19209260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).