3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol

C17H16N2O — CID 146020878

IUPAC3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol
SMILESCCCCC#Cc1nc2ccccc2nc1C#CCO
InChIInChI=1S/C17H16N2O/c1-2-3-4-5-9-14-17(12-8-13-20)19-16-11-7-6-10-15(16)18-14/h6-7,10-11,20H,2-4,13H2,1H3
InChIKeyARLFNYIVNVKBTL-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.52
Rot. Bonds2

About 3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol

3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol (PubChem CID 146020878) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol
PubChem CID146020878
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol
SMILESCCCCC#Cc1nc2ccccc2nc1C#CCO
InChIInChI=1S/C17H16N2O/c1-2-3-4-5-9-14-17(12-8-13-20)19-16-11-7-6-10-15(16)18-14/h6-7,10-11,20H,2-4,13H2,1H3
InChIKeyARLFNYIVNVKBTL-UHFFFAOYSA-N
XLogP2.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol (CID 146020878) is 3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol is CCCCC#Cc1nc2ccccc2nc1C#CCO.
What is the InChIKey of 3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol?
The InChIKey is ARLFNYIVNVKBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-3-4-5-9-14-17(12-8-13-20)19-16-11-7-6-10-15(16)18-14/h6-7,10-11,20H,2-4,13H2,1H3.
What are the key properties of 3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol?
3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol has a molecular weight of 264.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hex-1-ynylquinoxalin-2-yl)prop-2-yn-1-ol is sourced from PubChem (CID 146020878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).