[2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate

C19H14N2O4 — CID 169031683

IUPAC[2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate
SMILESO=COCC(OC=O)C1c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C19H14N2O4/c22-10-24-9-16(25-11-23)17-12-5-1-2-6-13(12)18-19(17)21-15-8-4-3-7-14(15)20-18/h1-8,10-11,16-17H,9H2
InChIKeyCUNZVHJDJWAPNL-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.46
Rot. Bonds6

About [2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate

[2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate (PubChem CID 169031683) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is [2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate.

Molecular Properties

Compound Name[2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate
PubChem CID169031683
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name[2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate
SMILESO=COCC(OC=O)C1c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C19H14N2O4/c22-10-24-9-16(25-11-23)17-12-5-1-2-6-13(12)18-19(17)21-15-8-4-3-7-14(15)20-18/h1-8,10-11,16-17H,9H2
InChIKeyCUNZVHJDJWAPNL-UHFFFAOYSA-N
XLogP2.46
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate?
The IUPAC name of [2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate (CID 169031683) is [2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate.
What is the SMILES notation for [2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate?
The canonical SMILES for [2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate is O=COCC(OC=O)C1c2ccccc2-c2nc3ccccc3nc21.
What is the InChIKey of [2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate?
The InChIKey is CUNZVHJDJWAPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-10-24-9-16(25-11-23)17-12-5-1-2-6-13(12)18-19(17)21-15-8-4-3-7-14(15)20-18/h1-8,10-11,16-17H,9H2.
What are the key properties of [2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate?
[2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate has a molecular weight of 334.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate is sourced from PubChem (CID 169031683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).