ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate

C19H17N3O5 — CID 135673822

IUPACethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1c(O)c(/N=N/C(=O)c2cccc(O)c2)c2ccccc21
InChIInChI=1S/C19H17N3O5/c1-2-27-16(24)11-22-15-9-4-3-8-14(15)17(19(22)26)20-21-18(25)12-6-5-7-13(23)10-12/h3-10,23,26H,2,11H2,1H3/b21-20+
InChIKeyLADAIVIPPLGUIT-QZQOTICOSA-N
MW367.36 g/mol
LogP3.54
Rot. Bonds5

About ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate

ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate (PubChem CID 135673822) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
PubChem CID135673822
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Nameethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1c(O)c(/N=N/C(=O)c2cccc(O)c2)c2ccccc21
InChIInChI=1S/C19H17N3O5/c1-2-27-16(24)11-22-15-9-4-3-8-14(15)17(19(22)26)20-21-18(25)12-6-5-7-13(23)10-12/h3-10,23,26H,2,11H2,1H3/b21-20+
InChIKeyLADAIVIPPLGUIT-QZQOTICOSA-N
XLogP3.54
TPSA113.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

ethyl 2-[2-hydroxy-3-(pyridine-3-carbonyldiazenyl)indol-1-yl]acetate
CID 1365617
ethyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 135784384
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide
CID 2696561
ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate
CID 135784615
ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate
CID 1365560
ethyl 2-[2-hydroxy-3-[[6-[(Z)-hydroxyiminomethyl]pyridine-3-carbonyl]diazenyl]indol-1-yl]acetate
CID 136676044
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
ethyl 2-[3-[[2-(2,4-dimethylphenoxy)acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate
CID 135957357
ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate
CID 3661340
methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 1270570
ethyl 2-[2-hydroxy-3-(prop-2-enylcarbamothioyldiazenyl)indol-1-yl]acetate
CID 135731078
ethyl 2-[2-hydroxy-3-[[2-(2-oxoazepan-1-yl)acetyl]diazenyl]indol-1-yl]acetate
CID 135725774

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate (CID 135673822) is ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate is CCOC(=O)Cn1c(O)c(/N=N/C(=O)c2cccc(O)c2)c2ccccc21.
What is the InChIKey of ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate?
The InChIKey is LADAIVIPPLGUIT-QZQOTICOSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-2-27-16(24)11-22-15-9-4-3-8-14(15)17(19(22)26)20-21-18(25)12-6-5-7-13(23)10-12/h3-10,23,26H,2,11H2,1H3/b21-20+.
What are the key properties of ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate?
ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate has a molecular weight of 367.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate is sourced from PubChem (CID 135673822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).