N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide

C20H15N3O5 — CID 137179331

IUPACN-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCn1c(O)c(/N=N/C(=O)COc2ccc3ccc(=O)oc3c2)c2ccccc21
InChIInChI=1S/C20H15N3O5/c1-23-15-5-3-2-4-14(15)19(20(23)26)22-21-17(24)11-27-13-8-6-12-7-9-18(25)28-16(12)10-13/h2-10,26H,11H2,1H3/b22-21+
InChIKeyBYZOUOXKYQYDGJ-QURGRASLSA-N
MW377.36 g/mol
LogP3.68
Rot. Bonds4

About N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide

N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 137179331) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID137179331
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC NameN-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCn1c(O)c(/N=N/C(=O)COc2ccc3ccc(=O)oc3c2)c2ccccc21
InChIInChI=1S/C20H15N3O5/c1-23-15-5-3-2-4-14(15)19(20(23)26)22-21-17(24)11-27-13-8-6-12-7-9-18(25)28-16(12)10-13/h2-10,26H,11H2,1H3/b22-21+
InChIKeyBYZOUOXKYQYDGJ-QURGRASLSA-N
XLogP3.68
TPSA106.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide (CID 137179331) is N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide is Cn1c(O)c(/N=N/C(=O)COc2ccc3ccc(=O)oc3c2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is BYZOUOXKYQYDGJ-QURGRASLSA-N. The full InChI is InChI=1S/C20H15N3O5/c1-23-15-5-3-2-4-14(15)19(20(23)26)22-21-17(24)11-27-13-8-6-12-7-9-18(25)28-16(12)10-13/h2-10,26H,11H2,1H3/b22-21+.
What are the key properties of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide?
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 377.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 137179331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).