ethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate

C19H15N3O3 — CID 155561957

IUPACethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate
SMILESCCOC(=O)CO/N=C1\c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C19H15N3O3/c1-2-24-16(23)11-25-22-18-13-8-4-3-7-12(13)17-19(18)21-15-10-6-5-9-14(15)20-17/h3-10H,2,11H2,1H3/b22-18+
InChIKeyBTJOSZCOBPWUOW-RELWKKBWSA-N
MW333.35 g/mol
LogP2.94
Rot. Bonds4

About ethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate

ethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate (PubChem CID 155561957) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is ethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate
PubChem CID155561957
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Nameethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate
SMILESCCOC(=O)CO/N=C1\c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C19H15N3O3/c1-2-24-16(23)11-25-22-18-13-8-4-3-7-12(13)17-19(18)21-15-10-6-5-9-14(15)20-17/h3-10H,2,11H2,1H3/b22-18+
InChIKeyBTJOSZCOBPWUOW-RELWKKBWSA-N
XLogP2.94
TPSA73.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate?
The IUPAC name of ethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate (CID 155561957) is ethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate.
What is the SMILES notation for ethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate?
The canonical SMILES for ethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate is CCOC(=O)CO/N=C1\c2ccccc2-c2nc3ccccc3nc21.
What is the InChIKey of ethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate?
The InChIKey is BTJOSZCOBPWUOW-RELWKKBWSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-2-24-16(23)11-25-22-18-13-8-4-3-7-12(13)17-19(18)21-15-10-6-5-9-14(15)20-17/h3-10H,2,11H2,1H3/b22-18+.
What are the key properties of ethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate?
ethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate has a molecular weight of 333.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-indeno[1,2-b]quinoxalin-11-ylideneamino]oxyacetate is sourced from PubChem (CID 155561957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).