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

C20H19N3O2 — CID 3488206

IUPACbutyl 2-indolo[3,2-b]quinoxalin-6-ylacetate
SMILESCCCCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C20H19N3O2/c1-2-3-12-25-18(24)13-23-17-11-7-4-8-14(17)19-20(23)22-16-10-6-5-9-15(16)21-19/h4-11H,2-3,12-13H2,1H3
InChIKeySMQMIJFORQHTSM-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.08
Rot. Bonds5

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

butyl 2-indolo[3,2-b]quinoxalin-6-ylacetate (PubChem CID 3488206) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is butyl 2-indolo[3,2-b]quinoxalin-6-ylacetate.

Molecular Properties

Compound Namebutyl 2-indolo[3,2-b]quinoxalin-6-ylacetate
PubChem CID3488206
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Namebutyl 2-indolo[3,2-b]quinoxalin-6-ylacetate
SMILESCCCCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C20H19N3O2/c1-2-3-12-25-18(24)13-23-17-11-7-4-8-14(17)19-20(23)22-16-10-6-5-9-15(16)21-19/h4-11H,2-3,12-13H2,1H3
InChIKeySMQMIJFORQHTSM-UHFFFAOYSA-N
XLogP4.08
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 2-indolo[3,2-b]quinoxalin-6-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl 2-indolo[3,2-b]quinoxalin-6-ylacetate?
The IUPAC name of butyl 2-indolo[3,2-b]quinoxalin-6-ylacetate (CID 3488206) is butyl 2-indolo[3,2-b]quinoxalin-6-ylacetate.
What is the SMILES notation for butyl 2-indolo[3,2-b]quinoxalin-6-ylacetate?
The canonical SMILES for butyl 2-indolo[3,2-b]quinoxalin-6-ylacetate is CCCCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc21.
What is the InChIKey of butyl 2-indolo[3,2-b]quinoxalin-6-ylacetate?
The InChIKey is SMQMIJFORQHTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-3-12-25-18(24)13-23-17-11-7-4-8-14(17)19-20(23)22-16-10-6-5-9-15(16)21-19/h4-11H,2-3,12-13H2,1H3.
What are the key properties of butyl 2-indolo[3,2-b]quinoxalin-6-ylacetate?
butyl 2-indolo[3,2-b]quinoxalin-6-ylacetate has a molecular weight of 333.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-indolo[3,2-b]quinoxalin-6-ylacetate is sourced from PubChem (CID 3488206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).