diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium

C19H23N4O3+ — CID 135710479

IUPACdiethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium
SMILESCC[NH+](CC)CCn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C19H22N4O3/c1-3-22(4-2)11-12-23-15-9-6-5-8-14(15)17(19(23)25)20-21-18(24)16-10-7-13-26-16/h5-10,13,25H,3-4,11-12H2,1-2H3/p+1/b21-20+
InChIKeyIMHMRURCLZTQOZ-QZQOTICOSA-O
MW355.42 g/mol
LogP2.79
Rot. Bonds7

About diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium

diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium (PubChem CID 135710479) has the molecular formula C19H23N4O3+ and a molecular weight of 355.42 g/mol. Its IUPAC name is diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium
PubChem CID135710479
Molecular FormulaC19H23N4O3+
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Namediethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium
SMILESCC[NH+](CC)CCn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C19H22N4O3/c1-3-22(4-2)11-12-23-15-9-6-5-8-14(15)17(19(23)25)20-21-18(24)16-10-7-13-26-16/h5-10,13,25H,3-4,11-12H2,1-2H3/p+1/b21-20+
InChIKeyIMHMRURCLZTQOZ-QZQOTICOSA-O
XLogP2.79
TPSA84.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.79
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

diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium
CID 135577249
ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate
CID 135784615
N-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]iminofuran-2-carboxamide
CID 3312378
diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium
CID 135739771
diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium
CID 135575864
2-[3-[[(3S)-1,1-dioxothiolane-3-carbonyl]diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium
CID 135817887
diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium
CID 2315375
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium
CID 135734559
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminofuran-2-carboxamide
CID 4889724
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium?
The IUPAC name of diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium (CID 135710479) is diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium?
The canonical SMILES for diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium is CC[NH+](CC)CCn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21.
What is the InChIKey of diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium?
The InChIKey is IMHMRURCLZTQOZ-QZQOTICOSA-O. The full InChI is InChI=1S/C19H22N4O3/c1-3-22(4-2)11-12-23-15-9-6-5-8-14(15)17(19(23)25)20-21-18(24)16-10-7-13-26-16/h5-10,13,25H,3-4,11-12H2,1-2H3/p+1/b21-20+.
What are the key properties of diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium?
diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium has a molecular weight of 355.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium is sourced from PubChem (CID 135710479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).