ethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate

C24H24N4O3 — CID 135846555

IUPACethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1c(O)c(/N=N/c2cc(C)c3ccc(C)c(C)c3n2)c2ccccc21
InChIInChI=1S/C24H24N4O3/c1-5-31-21(29)13-28-19-9-7-6-8-18(19)23(24(28)30)27-26-20-12-15(3)17-11-10-14(2)16(4)22(17)25-20/h6-12,30H,5,13H2,1-4H3/b27-26+
InChIKeyREKMDZUYNAPZNH-CYYJNZCTSA-N
MW416.48 g/mol
LogP5.80
Rot. Bonds5

About ethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate

ethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate (PubChem CID 135846555) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is ethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate
PubChem CID135846555
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Nameethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1c(O)c(/N=N/c2cc(C)c3ccc(C)c(C)c3n2)c2ccccc21
InChIInChI=1S/C24H24N4O3/c1-5-31-21(29)13-28-19-9-7-6-8-18(19)23(24(28)30)27-26-20-12-15(3)17-11-10-14(2)16(4)22(17)25-20/h6-12,30H,5,13H2,1-4H3/b27-26+
InChIKeyREKMDZUYNAPZNH-CYYJNZCTSA-N
XLogP5.80
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.80
H-Bond Donors ≤ 51
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-[3-[[2-(2,4-dimethylphenoxy)acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate
CID 135957357
ethyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 135784384
ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
CID 135673822
ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate
CID 1365560
ethyl 2-[2-hydroxy-3-(pyridine-3-carbonyldiazenyl)indol-1-yl]acetate
CID 1365617
ethyl 2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]acetate
CID 135784615
ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate
CID 3661340
ethyl 2-[2-hydroxy-3-(prop-2-enylcarbamothioyldiazenyl)indol-1-yl]acetate
CID 135731078
ethyl 2-[3-[(2-fluorophenyl)carbamothioyldiazenyl]-2-hydroxyindol-1-yl]acetate
CID 135731034
ethyl 2-[3-[(2,2-diphenylcyclopropanecarbonyl)diazenyl]-2-hydroxyindol-1-yl]acetate
CID 3317811
ethyl 2-[2-hydroxy-3-[[6-[(Z)-hydroxyiminomethyl]pyridine-3-carbonyl]diazenyl]indol-1-yl]acetate
CID 136676044
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-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate (CID 135846555) is ethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate is CCOC(=O)Cn1c(O)c(/N=N/c2cc(C)c3ccc(C)c(C)c3n2)c2ccccc21.
What is the InChIKey of ethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate?
The InChIKey is REKMDZUYNAPZNH-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-5-31-21(29)13-28-19-9-7-6-8-18(19)23(24(28)30)27-26-20-12-15(3)17-11-10-14(2)16(4)22(17)25-20/h6-12,30H,5,13H2,1-4H3/b27-26+.
What are the key properties of ethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate?
ethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate has a molecular weight of 416.48 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-hydroxy-3-[(4,7,8-trimethylquinolin-2-yl)diazenyl]indol-1-yl]acetate is sourced from PubChem (CID 135846555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).