N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide

C19H13N3O5 — CID 137179324

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C19H13N3O5/c23-16(21-22-18-13-3-1-2-4-14(13)20-19(18)25)10-26-12-7-5-11-6-8-17(24)27-15(11)9-12/h1-9,20,25H,10H2/b22-21+
InChIKeyKWJMDPFVTWANDI-QURGRASLSA-N
MW363.33 g/mol
LogP3.67
Rot. Bonds4

About N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 137179324) has the molecular formula C19H13N3O5 and a molecular weight of 363.33 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID137179324
Molecular FormulaC19H13N3O5
Molecular Weight363.33 g/mol
Exact Mass363.09
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C19H13N3O5/c23-16(21-22-18-13-3-1-2-4-14(13)20-19(18)25)10-26-12-7-5-11-6-8-17(24)27-15(11)9-12/h1-9,20,25H,10H2/b22-21+
InChIKeyKWJMDPFVTWANDI-QURGRASLSA-N
XLogP3.67
TPSA117.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(((E)-(1-(4-methoxyphenyl)ethylidene)amino)oxy)-N'-(2-oxoindolin-3-ylidene)acetohydrazide
CID 135497958
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-oxochromene-3-carboxamide
CID 136237980
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-oxochromene-3-carboxamide
CID 136237981
(Z)-N'-(5-methyl-2-oxoindolin-3-ylidene)-2-((2-oxo-2H-chromen-7-yl)oxy)acetohydrazide (5b)
CID 137179325
(Z)-N'-(5,7-dimethyl-2-oxoindolin-3-ylidene)-2-((2-oxo-2H-chromen-7-yl)oxy)acetohydrazide (5c)
CID 137179326
(Z)-N'-(5-fluoro-2-oxoindolin-3-ylidene)-2-((2-oxo-2H-chromen-7-yl)oxy)acetohydrazide (5d)
CID 137179327
(Z)-N'-(5-chloro-2-oxoindolin-3-ylidene)-2-((2-oxo-2H-chromen-7-yl)oxy)acetohydrazide (5e)
CID 137179328
(Z)-N'-(5-bromo-2-oxoindolin-3-ylidene)-2-((2-oxo-2H-chromen-7-yl)oxy)acetohydrazide (5f)
CID 137179329
(Z)-N'-(5-nitro-2-oxoindolin-3-ylidene)-2-((2-oxo-2H-chromen-7-yl)oxy)acetohydrazide (5g)
CID 137179330
(Z)-N'-(1-methyl-2-oxoindolin-3-ylidene)-2-((2-oxo-2H-chromen-7-yl)oxy)acetohydrazide (5h)
CID 137179331
(Z)-N'-(1-benzyl-2-oxoindolin-3-ylidene)-2-((2-oxo-2H-chromen-7-yl)oxy)acetohydrazide (5i)
CID 137179332
(Z)-N'-(1-(2-fluorobenzyl)-2-oxoindolin-3-ylidene)-2-((2-oxo-2H-chromen-7-yl)oxy)acetohydrazide (5j)
CID 137179333

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide (CID 137179324) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is KWJMDPFVTWANDI-QURGRASLSA-N. The full InChI is InChI=1S/C19H13N3O5/c23-16(21-22-18-13-3-1-2-4-14(13)20-19(18)25)10-26-12-7-5-11-6-8-17(24)27-15(11)9-12/h1-9,20,25H,10H2/b22-21+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 363.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 137179324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).