11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid

C16H8N2O3 — CID 773430

IUPAC11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid
SMILESO=C(O)c1ccc2nc3c(nc2c1)-c1ccccc1C3=O
InChIInChI=1S/C16H8N2O3/c19-15-10-4-2-1-3-9(10)13-14(15)17-11-6-5-8(16(20)21)7-12(11)18-13/h1-7H,(H,20,21)
InChIKeySBMPOUOCMITYEA-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.54
Rot. Bonds1

About 11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid

11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid (PubChem CID 773430) has the molecular formula C16H8N2O3 and a molecular weight of 276.25 g/mol. Its IUPAC name is 11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid.

Molecular Properties

Compound Name11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid
PubChem CID773430
Molecular FormulaC16H8N2O3
Molecular Weight276.25 g/mol
Exact Mass276.05
IUPAC Name11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid
SMILESO=C(O)c1ccc2nc3c(nc2c1)-c1ccccc1C3=O
InChIInChI=1S/C16H8N2O3/c19-15-10-4-2-1-3-9(10)13-14(15)17-11-6-5-8(16(20)21)7-12(11)18-13/h1-7H,(H,20,21)
InChIKeySBMPOUOCMITYEA-UHFFFAOYSA-N
XLogP2.54
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid?
The IUPAC name of 11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid (CID 773430) is 11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid.
What is the SMILES notation for 11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid?
The canonical SMILES for 11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid is O=C(O)c1ccc2nc3c(nc2c1)-c1ccccc1C3=O.
What is the InChIKey of 11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid?
The InChIKey is SBMPOUOCMITYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N2O3/c19-15-10-4-2-1-3-9(10)13-14(15)17-11-6-5-8(16(20)21)7-12(11)18-13/h1-7H,(H,20,21).
What are the key properties of 11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid?
11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid has a molecular weight of 276.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxoindeno[2,1-b]quinoxaline-7-carboxylic acid is sourced from PubChem (CID 773430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).