methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate

C18H14N4O6 — CID 135604078

IUPACmethyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate
SMILESCOC(=O)Cn1c(O)c(/N=N/C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C18H14N4O6/c1-28-15(23)10-21-14-5-3-2-4-13(14)16(18(21)25)19-20-17(24)11-6-8-12(9-7-11)22(26)27/h2-9,25H,10H2,1H3/b20-19+
InChIKeyKWZQPWJQJFOUHA-FMQUCBEESA-N
MW382.33 g/mol
LogP3.35
Rot. Bonds5

About methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate

methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate (PubChem CID 135604078) has the molecular formula C18H14N4O6 and a molecular weight of 382.33 g/mol. Its IUPAC name is methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate
PubChem CID135604078
Molecular FormulaC18H14N4O6
Molecular Weight382.33 g/mol
Exact Mass382.09
IUPAC Namemethyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate
SMILESCOC(=O)Cn1c(O)c(/N=N/C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21
InChIInChI=1S/C18H14N4O6/c1-28-15(23)10-21-14-5-3-2-4-13(14)16(18(21)25)19-20-17(24)11-6-8-12(9-7-11)22(26)27/h2-9,25H,10H2,1H3/b20-19+
InChIKeyKWZQPWJQJFOUHA-FMQUCBEESA-N
XLogP3.35
TPSA136.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate 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

methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 1270570
N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide
CID 1048808
methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate
CID 932258
methyl 2-[2-hydroxy-3-[(2-methylbenzoyl)diazenyl]indol-1-yl]acetate
CID 135604079
N-(1-ethyl-2-hydroxyindol-3-yl)imino-3,5-dinitrobenzamide
CID 3522953
ethyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 135784384
N-[2-hydroxy-1-[(3-nitrophenyl)methyl]indol-3-yl]iminobenzamide
CID 1016399
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 135824408
methyl 2-[3-[[2-[(4-ethoxybenzoyl)amino]acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate
CID 1417278
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642229
ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
CID 135673822

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate?
The IUPAC name of methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate (CID 135604078) is methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate is COC(=O)Cn1c(O)c(/N=N/C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21.
What is the InChIKey of methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate?
The InChIKey is KWZQPWJQJFOUHA-FMQUCBEESA-N. The full InChI is InChI=1S/C18H14N4O6/c1-28-15(23)10-21-14-5-3-2-4-13(14)16(18(21)25)19-20-17(24)11-6-8-12(9-7-11)22(26)27/h2-9,25H,10H2,1H3/b20-19+.
What are the key properties of methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate?
methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate has a molecular weight of 382.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate is sourced from PubChem (CID 135604078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).