ethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate

C19H17N3O3 — CID 662543

IUPACethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate
SMILESCCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc21
InChIInChI=1S/C19H17N3O3/c1-3-25-17(23)11-22-16-9-8-12(24-2)10-13(16)18-19(22)21-15-7-5-4-6-14(15)20-18/h4-10H,3,11H2,1-2H3
InChIKeyRLTLXQYERPJJEF-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.31
Rot. Bonds4

About ethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate

ethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate (PubChem CID 662543) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate
PubChem CID662543
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Nameethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate
SMILESCCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc21
InChIInChI=1S/C19H17N3O3/c1-3-25-17(23)11-22-16-9-8-12(24-2)10-13(16)18-19(22)21-15-7-5-4-6-14(15)20-18/h4-10H,3,11H2,1-2H3
InChIKeyRLTLXQYERPJJEF-UHFFFAOYSA-N
XLogP3.31
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate?
The IUPAC name of ethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate (CID 662543) is ethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate?
The canonical SMILES for ethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate is CCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc21.
What is the InChIKey of ethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate?
The InChIKey is RLTLXQYERPJJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-3-25-17(23)11-22-16-9-8-12(24-2)10-13(16)18-19(22)21-15-7-5-4-6-14(15)20-18/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate?
ethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate has a molecular weight of 335.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)acetate is sourced from PubChem (CID 662543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).