6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid

C18H15N3O2 — CID 4881923

IUPAC6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid
SMILESCCn1c2ccc(C)cc2c2nc3cc(C(=O)O)ccc3nc21
InChIInChI=1S/C18H15N3O2/c1-3-21-15-7-4-10(2)8-12(15)16-17(21)20-13-6-5-11(18(22)23)9-14(13)19-16/h4-9H,3H2,1-2H3,(H,22,23)
InChIKeyMZNYOAZIVDKGQI-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.76
Rot. Bonds2

About 6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid

6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid (PubChem CID 4881923) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid
PubChem CID4881923
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid
SMILESCCn1c2ccc(C)cc2c2nc3cc(C(=O)O)ccc3nc21
InChIInChI=1S/C18H15N3O2/c1-3-21-15-7-4-10(2)8-12(15)16-17(21)20-13-6-5-11(18(22)23)9-14(13)19-16/h4-9H,3H2,1-2H3,(H,22,23)
InChIKeyMZNYOAZIVDKGQI-UHFFFAOYSA-N
XLogP3.76
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid?
The IUPAC name of 6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid (CID 4881923) is 6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid.
What is the SMILES notation for 6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid?
The canonical SMILES for 6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid is CCn1c2ccc(C)cc2c2nc3cc(C(=O)O)ccc3nc21.
What is the InChIKey of 6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid?
The InChIKey is MZNYOAZIVDKGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-3-21-15-7-4-10(2)8-12(15)16-17(21)20-13-6-5-11(18(22)23)9-14(13)19-16/h4-9H,3H2,1-2H3,(H,22,23).
What are the key properties of 6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid?
6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid has a molecular weight of 305.34 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 4881923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).