6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid

C17H13N3O2 — CID 4875333

IUPAC6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid
SMILESCCn1c2ccccc2c2nc3cc(C(=O)O)ccc3nc21
InChIInChI=1S/C17H13N3O2/c1-2-20-14-6-4-3-5-11(14)15-16(20)19-12-8-7-10(17(21)22)9-13(12)18-15/h3-9H,2H2,1H3,(H,21,22)
InChIKeyNSQNYRATCCZVAX-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.46
Rot. Bonds2

About 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid

6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid (PubChem CID 4875333) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid
PubChem CID4875333
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid
SMILESCCn1c2ccccc2c2nc3cc(C(=O)O)ccc3nc21
InChIInChI=1S/C17H13N3O2/c1-2-20-14-6-4-3-5-11(14)15-16(20)19-12-8-7-10(17(21)22)9-13(12)18-15/h3-9H,2H2,1H3,(H,21,22)
InChIKeyNSQNYRATCCZVAX-UHFFFAOYSA-N
XLogP3.46
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid?
The IUPAC name of 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid (CID 4875333) is 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid?
The canonical SMILES for 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid is CCn1c2ccccc2c2nc3cc(C(=O)O)ccc3nc21.
What is the InChIKey of 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid?
The InChIKey is NSQNYRATCCZVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-2-20-14-6-4-3-5-11(14)15-16(20)19-12-8-7-10(17(21)22)9-13(12)18-15/h3-9H,2H2,1H3,(H,21,22).
What are the key properties of 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid?
6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylindolo[2,3-b]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 4875333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).