diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium

C21H25N4O2+ — CID 2315375

IUPACdiethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium
SMILESCC[NH+](CC)Cn1c(O)c(/N=N/C(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C21H24N4O2/c1-4-24(5-2)14-25-18-9-7-6-8-17(18)19(21(25)27)22-23-20(26)16-12-10-15(3)11-13-16/h6-13,27H,4-5,14H2,1-3H3/p+1/b23-22+
InChIKeyAQMHSGPWZCAJTA-GHVJWSGMSA-O
MW365.46 g/mol
LogP3.46
Rot. Bonds6

About diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium

diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium (PubChem CID 2315375) has the molecular formula C21H25N4O2+ and a molecular weight of 365.46 g/mol. Its IUPAC name is diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium.

Molecular Properties

Compound Namediethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium
PubChem CID2315375
Molecular FormulaC21H25N4O2+
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Namediethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium
SMILESCC[NH+](CC)Cn1c(O)c(/N=N/C(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C21H24N4O2/c1-4-24(5-2)14-25-18-9-7-6-8-17(18)19(21(25)27)22-23-20(26)16-12-10-15(3)11-13-16/h6-13,27H,4-5,14H2,1-3H3/p+1/b23-22+
InChIKeyAQMHSGPWZCAJTA-GHVJWSGMSA-O
XLogP3.46
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium 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

N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642229
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 135577272
1-N,4-N-bis[(2-hydroxy-1-prop-2-enylindol-3-yl)imino]benzene-1,4-dicarboxamide
CID 1048805
N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
CID 4501413
ethyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 135784384
N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide
CID 1048808
diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium
CID 135577249
[2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium
CID 135848863
diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium
CID 135710479
N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 828327

Frequently Asked Questions

What is the IUPAC name of diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium?
The IUPAC name of diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium (CID 2315375) is diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium.
What is the SMILES notation for diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium?
The canonical SMILES for diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium is CC[NH+](CC)Cn1c(O)c(/N=N/C(=O)c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium?
The InChIKey is AQMHSGPWZCAJTA-GHVJWSGMSA-O. The full InChI is InChI=1S/C21H24N4O2/c1-4-24(5-2)14-25-18-9-7-6-8-17(18)19(21(25)27)22-23-20(26)16-12-10-15(3)11-13-16/h6-13,27H,4-5,14H2,1-3H3/p+1/b23-22+.
What are the key properties of diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium?
diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium has a molecular weight of 365.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium is sourced from PubChem (CID 2315375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).