1-quinoxalin-2-ylbut-3-yn-1-ol

C12H10N2O — CID 86630247

IUPAC1-quinoxalin-2-ylbut-3-yn-1-ol
SMILESC#CCC(O)c1cnc2ccccc2n1
InChIInChI=1S/C12H10N2O/c1-2-5-12(15)11-8-13-9-6-3-4-7-10(9)14-11/h1,3-4,6-8,12,15H,5H2
InChIKeyGSVQDWRYBSNITO-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.69
Rot. Bonds2

About 1-quinoxalin-2-ylbut-3-yn-1-ol

1-quinoxalin-2-ylbut-3-yn-1-ol (PubChem CID 86630247) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-quinoxalin-2-ylbut-3-yn-1-ol.

Molecular Properties

Compound Name1-quinoxalin-2-ylbut-3-yn-1-ol
PubChem CID86630247
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Name1-quinoxalin-2-ylbut-3-yn-1-ol
SMILESC#CCC(O)c1cnc2ccccc2n1
InChIInChI=1S/C12H10N2O/c1-2-5-12(15)11-8-13-9-6-3-4-7-10(9)14-11/h1,3-4,6-8,12,15H,5H2
InChIKeyGSVQDWRYBSNITO-UHFFFAOYSA-N
XLogP1.69
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-quinoxalin-2-ylbut-3-yn-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

(1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol
CID 102524344
2-(3-chloro-2-fluorophenyl)-1-quinoxalin-2-ylethanol
CID 107357768
2-(3-fluorophenyl)-1-quinoxalin-2-ylethanol
CID 107357548
1-quinoxalin-2-yl-4-sulfanylbutane-1,2-diol
CID 171874293
2-(5-fluoro-2-methylphenyl)-1-quinoxalin-2-ylethanol
CID 107357762
2-(2-bromo-4-fluorophenyl)-1-quinoxalin-2-ylethanol
CID 107357592
3-quinoxalin-2-ylbutan-2-one
CID 63196763
(5-bromo-2-fluorophenyl)-quinoxalin-2-ylmethanol
CID 107357691
(4-methoxyphenyl)-quinoxalin-2-ylmethanol
CID 107357547
2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356898
1-quinoxalin-2-yl-1-sulfanylpropan-2-one
CID 175599702
(4-methyl-1-quinoxalin-2-ylpentyl)hydrazine
CID 107357839

Frequently Asked Questions

What is the IUPAC name of 1-quinoxalin-2-ylbut-3-yn-1-ol?
The IUPAC name of 1-quinoxalin-2-ylbut-3-yn-1-ol (CID 86630247) is 1-quinoxalin-2-ylbut-3-yn-1-ol.
What is the SMILES notation for 1-quinoxalin-2-ylbut-3-yn-1-ol?
The canonical SMILES for 1-quinoxalin-2-ylbut-3-yn-1-ol is C#CCC(O)c1cnc2ccccc2n1.
What is the InChIKey of 1-quinoxalin-2-ylbut-3-yn-1-ol?
The InChIKey is GSVQDWRYBSNITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-2-5-12(15)11-8-13-9-6-3-4-7-10(9)14-11/h1,3-4,6-8,12,15H,5H2.
What are the key properties of 1-quinoxalin-2-ylbut-3-yn-1-ol?
1-quinoxalin-2-ylbut-3-yn-1-ol has a molecular weight of 198.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinoxalin-2-ylbut-3-yn-1-ol is sourced from PubChem (CID 86630247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).