ethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate

C24H26N2O2 — CID 163543978

IUPACethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate
SMILESCCCCC1(CCC(=O)OCC)c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C24H26N2O2/c1-3-5-15-24(16-14-21(27)28-4-2)18-11-7-6-10-17(18)22-23(24)26-20-13-9-8-12-19(20)25-22/h6-13H,3-5,14-16H2,1-2H3
InChIKeyQREJCRARYJGXFE-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.43
Rot. Bonds7

About ethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate

ethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate (PubChem CID 163543978) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is ethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate
PubChem CID163543978
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Nameethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate
SMILESCCCCC1(CCC(=O)OCC)c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C24H26N2O2/c1-3-5-15-24(16-14-21(27)28-4-2)18-11-7-6-10-17(18)22-23(24)26-20-13-9-8-12-19(20)25-22/h6-13H,3-5,14-16H2,1-2H3
InChIKeyQREJCRARYJGXFE-UHFFFAOYSA-N
XLogP5.43
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate?
The IUPAC name of ethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate (CID 163543978) is ethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate.
What is the SMILES notation for ethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate?
The canonical SMILES for ethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate is CCCCC1(CCC(=O)OCC)c2ccccc2-c2nc3ccccc3nc21.
What is the InChIKey of ethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate?
The InChIKey is QREJCRARYJGXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-5-15-24(16-14-21(27)28-4-2)18-11-7-6-10-17(18)22-23(24)26-20-13-9-8-12-19(20)25-22/h6-13H,3-5,14-16H2,1-2H3.
What are the key properties of ethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate?
ethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate has a molecular weight of 374.48 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(11-butylindeno[1,2-b]quinoxalin-11-yl)propanoate is sourced from PubChem (CID 163543978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).