ethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate

C22H22N2O2 — CID 163543975

IUPACethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate
SMILESCCCC1(CC(=O)OCC)c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C22H22N2O2/c1-3-13-22(14-19(25)26-4-2)16-10-6-5-9-15(16)20-21(22)24-18-12-8-7-11-17(18)23-20/h5-12H,3-4,13-14H2,1-2H3
InChIKeyGMEUPHNCCSVVQT-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.65
Rot. Bonds5

About ethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate

ethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate (PubChem CID 163543975) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate
PubChem CID163543975
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Nameethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate
SMILESCCCC1(CC(=O)OCC)c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C22H22N2O2/c1-3-13-22(14-19(25)26-4-2)16-10-6-5-9-15(16)20-21(22)24-18-12-8-7-11-17(18)23-20/h5-12H,3-4,13-14H2,1-2H3
InChIKeyGMEUPHNCCSVVQT-UHFFFAOYSA-N
XLogP4.65
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate?
The IUPAC name of ethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate (CID 163543975) is ethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate.
What is the SMILES notation for ethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate?
The canonical SMILES for ethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate is CCCC1(CC(=O)OCC)c2ccccc2-c2nc3ccccc3nc21.
What is the InChIKey of ethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate?
The InChIKey is GMEUPHNCCSVVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-3-13-22(14-19(25)26-4-2)16-10-6-5-9-15(16)20-21(22)24-18-12-8-7-11-17(18)23-20/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of ethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate?
ethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate has a molecular weight of 346.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(11-propylindeno[1,2-b]quinoxalin-11-yl)acetate is sourced from PubChem (CID 163543975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).