6-prop-2-ynylindolo[3,2-b]quinoxaline

C17H11N3 — CID 5237191

IUPAC6-prop-2-ynylindolo[3,2-b]quinoxaline
SMILESC#CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C17H11N3/c1-2-11-20-15-10-6-3-7-12(15)16-17(20)19-14-9-5-4-8-13(14)18-16/h1,3-10H,11H2
InChIKeyLOYGZDQOCPELSQ-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.37
Rot. Bonds1

About 6-prop-2-ynylindolo[3,2-b]quinoxaline

6-prop-2-ynylindolo[3,2-b]quinoxaline (PubChem CID 5237191) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 6-prop-2-ynylindolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-prop-2-ynylindolo[3,2-b]quinoxaline
PubChem CID5237191
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name6-prop-2-ynylindolo[3,2-b]quinoxaline
SMILESC#CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C17H11N3/c1-2-11-20-15-10-6-3-7-12(15)16-17(20)19-14-9-5-4-8-13(14)18-16/h1,3-10H,11H2
InChIKeyLOYGZDQOCPELSQ-UHFFFAOYSA-N
XLogP3.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-prop-2-ynylindolo[3,2-b]quinoxaline?
The IUPAC name of 6-prop-2-ynylindolo[3,2-b]quinoxaline (CID 5237191) is 6-prop-2-ynylindolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-prop-2-ynylindolo[3,2-b]quinoxaline?
The canonical SMILES for 6-prop-2-ynylindolo[3,2-b]quinoxaline is C#CCn1c2ccccc2c2nc3ccccc3nc21.
What is the InChIKey of 6-prop-2-ynylindolo[3,2-b]quinoxaline?
The InChIKey is LOYGZDQOCPELSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c1-2-11-20-15-10-6-3-7-12(15)16-17(20)19-14-9-5-4-8-13(14)18-16/h1,3-10H,11H2.
What are the key properties of 6-prop-2-ynylindolo[3,2-b]quinoxaline?
6-prop-2-ynylindolo[3,2-b]quinoxaline has a molecular weight of 257.30 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-ynylindolo[3,2-b]quinoxaline is sourced from PubChem (CID 5237191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).