[2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium

C20H23N4O3+ — CID 135848863

IUPAC[2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium
SMILESCc1ccc(OCC(=O)/N=N/c2c(O)n(C[NH+](C)C)c3ccccc23)cc1
InChIInChI=1S/C20H22N4O3/c1-14-8-10-15(11-9-14)27-12-18(25)21-22-19-16-6-4-5-7-17(16)24(20(19)26)13-23(2)3/h4-11,26H,12-13H2,1-3H3/p+1/b22-21+
InChIKeyFQEHSZIIUSFJSZ-QURGRASLSA-O
MW367.43 g/mol
LogP2.45
Rot. Bonds6

About [2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium

[2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium (PubChem CID 135848863) has the molecular formula C20H23N4O3+ and a molecular weight of 367.43 g/mol. Its IUPAC name is [2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium.

Molecular Properties

Compound Name[2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium
PubChem CID135848863
Molecular FormulaC20H23N4O3+
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name[2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium
SMILESCc1ccc(OCC(=O)/N=N/c2c(O)n(C[NH+](C)C)c3ccccc23)cc1
InChIInChI=1S/C20H22N4O3/c1-14-8-10-15(11-9-14)27-12-18(25)21-22-19-16-6-4-5-7-17(16)24(20(19)26)13-23(2)3/h4-11,26H,12-13H2,1-3H3/p+1/b22-21+
InChIKeyFQEHSZIIUSFJSZ-QURGRASLSA-O
XLogP2.45
TPSA80.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 3411635
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726406
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
2-(3,5-dimethylphenoxy)-N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]iminoacetamide
CID 135674746
methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate
CID 135604049
2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726405
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide
CID 1138559
2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide
CID 135537774
N-[5-chloro-2-hydroxy-1-[(2-methylphenyl)methyl]indol-3-yl]imino-2-(4-methylphenoxy)acetamide
CID 135571523
2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
CID 135838548
N-[1-(azepan-1-ium-1-ylmethyl)-2-hydroxyindol-3-yl]imino-2-(4-chlorophenoxy)acetamide
CID 2309760

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium?
The IUPAC name of [2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium (CID 135848863) is [2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium.
What is the SMILES notation for [2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium?
The canonical SMILES for [2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium is Cc1ccc(OCC(=O)/N=N/c2c(O)n(C[NH+](C)C)c3ccccc23)cc1.
What is the InChIKey of [2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium?
The InChIKey is FQEHSZIIUSFJSZ-QURGRASLSA-O. The full InChI is InChI=1S/C20H22N4O3/c1-14-8-10-15(11-9-14)27-12-18(25)21-22-19-16-6-4-5-7-17(16)24(20(19)26)13-23(2)3/h4-11,26H,12-13H2,1-3H3/p+1/b22-21+.
What are the key properties of [2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium?
[2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium has a molecular weight of 367.43 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium is sourced from PubChem (CID 135848863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).