2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol

C13H12N2O — CID 45103076

IUPAC2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cnc2ccccc2n1
InChIInChI=1S/C13H12N2O/c1-13(2,16)8-7-10-9-14-11-5-3-4-6-12(11)15-10/h3-6,9,16H,1-2H3
InChIKeyVYOHNMCUVMKZDT-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.75
Rot. Bonds

About 2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol

2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol (PubChem CID 45103076) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol.

Molecular Properties

Compound Name2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol
PubChem CID45103076
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cnc2ccccc2n1
InChIInChI=1S/C13H12N2O/c1-13(2,16)8-7-10-9-14-11-5-3-4-6-12(11)15-10/h3-6,9,16H,1-2H3
InChIKeyVYOHNMCUVMKZDT-UHFFFAOYSA-N
XLogP1.75
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloroquinoxalin-2-yl)-2-methylbut-3-yn-2-ol
CID 13464828
N-methyl-4-quinoxalin-2-ylbut-3-yn-1-amine
CID 170464484
4-quinoxalin-2-ylbut-3-ynamide
CID 170473225
(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol
CID 134838021
2-(2,2-dimethylpropylsulfanyl)quinoxaline
CID 58689223
2-[(E)-1,2-dibromo-3,3-dimethylbut-1-enyl]quinoxaline
CID 10785364
bis(2-methylquinoxaline);hydrate
CID 118096878
ethane;2-methylquinoxaline
CID 90767427
(2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol
CID 95624706
1-quinoxalin-2-ylpropan-2-ol
CID 63201625
4-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-methylpyrimidin-4-yl]-2-methylbut-3-yn-2-ol
CID 117062145
2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-3H-quinazolin-4-one
CID 168550883

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol?
The IUPAC name of 2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol (CID 45103076) is 2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol.
What is the SMILES notation for 2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol?
The canonical SMILES for 2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol is CC(C)(O)C#Cc1cnc2ccccc2n1.
What is the InChIKey of 2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol?
The InChIKey is VYOHNMCUVMKZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-13(2,16)8-7-10-9-14-11-5-3-4-6-12(11)15-10/h3-6,9,16H,1-2H3.
What are the key properties of 2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol?
2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol has a molecular weight of 212.25 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-quinoxalin-2-ylbut-3-yn-2-ol is sourced from PubChem (CID 45103076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).