methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate

C17H13N3O2 — CID 795706

IUPACmethyl 2-indolo[3,2-b]quinoxalin-6-ylacetate
SMILESCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C17H13N3O2/c1-22-15(21)10-20-14-9-5-2-6-11(14)16-17(20)19-13-8-4-3-7-12(13)18-16/h2-9H,10H2,1H3
InChIKeyUPBZCLFBTNROBT-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.91
Rot. Bonds2

About methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate

methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate (PubChem CID 795706) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate.

Molecular Properties

Compound Namemethyl 2-indolo[3,2-b]quinoxalin-6-ylacetate
PubChem CID795706
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Namemethyl 2-indolo[3,2-b]quinoxalin-6-ylacetate
SMILESCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C17H13N3O2/c1-22-15(21)10-20-14-9-5-2-6-11(14)16-17(20)19-13-8-4-3-7-12(13)18-16/h2-9H,10H2,1H3
InChIKeyUPBZCLFBTNROBT-UHFFFAOYSA-N
XLogP2.91
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate?
The IUPAC name of methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate (CID 795706) is methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate.
What is the SMILES notation for methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate?
The canonical SMILES for methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate is COC(=O)Cn1c2ccccc2c2nc3ccccc3nc21.
What is the InChIKey of methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate?
The InChIKey is UPBZCLFBTNROBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-22-15(21)10-20-14-9-5-2-6-11(14)16-17(20)19-13-8-4-3-7-12(13)18-16/h2-9H,10H2,1H3.
What are the key properties of methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate?
methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate has a molecular weight of 291.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-indolo[3,2-b]quinoxalin-6-ylacetate is sourced from PubChem (CID 795706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).