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

C19H17N3O5 — CID 1270570

IUPACmethyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
SMILESCOC(=O)Cn1c(O)c(/N=N/C(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C19H17N3O5/c1-26-13-9-7-12(8-10-13)18(24)21-20-17-14-5-3-4-6-15(14)22(19(17)25)11-16(23)27-2/h3-10,25H,11H2,1-2H3/b21-20+
InChIKeyCHZZOVFAQCPKNW-QZQOTICOSA-N
MW367.36 g/mol
LogP3.45
Rot. Bonds5

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

methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate (PubChem CID 1270570) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
PubChem CID1270570
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Namemethyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
SMILESCOC(=O)Cn1c(O)c(/N=N/C(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C19H17N3O5/c1-26-13-9-7-12(8-10-13)18(24)21-20-17-14-5-3-4-6-15(14)22(19(17)25)11-16(23)27-2/h3-10,25H,11H2,1-2H3/b21-20+
InChIKeyCHZZOVFAQCPKNW-QZQOTICOSA-N
XLogP3.45
TPSA102.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.45
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-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 135784384
methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate
CID 135604078
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
methyl 2-[3-[[2-[(4-ethoxybenzoyl)amino]acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate
CID 1417278
methyl 2-[2-hydroxy-3-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]acetyl]diazenyl]indol-1-yl]acetate
CID 135648157
4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 135577272
N-[2-hydroxy-1-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]indol-3-yl]imino-4-methoxybenzamide
CID 136886928
methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate
CID 135604049
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-methoxybenzoyl)diazenyl]indol-1-yl]acetate?
The IUPAC name of methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate (CID 1270570) is methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate is COC(=O)Cn1c(O)c(/N=N/C(=O)c2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate?
The InChIKey is CHZZOVFAQCPKNW-QZQOTICOSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-26-13-9-7-12(8-10-13)18(24)21-20-17-14-5-3-4-6-15(14)22(19(17)25)11-16(23)27-2/h3-10,25H,11H2,1-2H3/b21-20+.
What are the key properties of methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate?
methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate has a molecular weight of 367.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate is sourced from PubChem (CID 1270570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).