11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile

C17H6N4O — CID 729128

IUPAC11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile
SMILESN#Cc1cc2nc3c(nc2cc1C#N)-c1ccccc1C3=O
InChIInChI=1S/C17H6N4O/c18-7-9-5-13-14(6-10(9)8-19)21-16-15(20-13)11-3-1-2-4-12(11)17(16)22/h1-6H
InChIKeyIFMXFOZOZPDSRE-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.58
Rot. Bonds

About 11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile

11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile (PubChem CID 729128) has the molecular formula C17H6N4O and a molecular weight of 282.26 g/mol. Its IUPAC name is 11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile.

Molecular Properties

Compound Name11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile
PubChem CID729128
Molecular FormulaC17H6N4O
Molecular Weight282.26 g/mol
Exact Mass282.05
IUPAC Name11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile
SMILESN#Cc1cc2nc3c(nc2cc1C#N)-c1ccccc1C3=O
InChIInChI=1S/C17H6N4O/c18-7-9-5-13-14(6-10(9)8-19)21-16-15(20-13)11-3-1-2-4-12(11)17(16)22/h1-6H
InChIKeyIFMXFOZOZPDSRE-UHFFFAOYSA-N
XLogP2.58
TPSA90.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile?
The IUPAC name of 11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile (CID 729128) is 11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile.
What is the SMILES notation for 11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile?
The canonical SMILES for 11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile is N#Cc1cc2nc3c(nc2cc1C#N)-c1ccccc1C3=O.
What is the InChIKey of 11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile?
The InChIKey is IFMXFOZOZPDSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H6N4O/c18-7-9-5-13-14(6-10(9)8-19)21-16-15(20-13)11-3-1-2-4-12(11)17(16)22/h1-6H.
What are the key properties of 11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile?
11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile has a molecular weight of 282.26 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxoindeno[1,2-b]quinoxaline-7,8-dicarbonitrile is sourced from PubChem (CID 729128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).