3-methyl-1-quinoxalin-2-ylbutan-1-ol

C13H16N2O — CID 107357530

IUPAC3-methyl-1-quinoxalin-2-ylbutan-1-ol
SMILESCC(C)CC(O)c1cnc2ccccc2n1
InChIInChI=1S/C13H16N2O/c1-9(2)7-13(16)12-8-14-10-5-3-4-6-11(10)15-12/h3-6,8-9,13,16H,7H2,1-2H3
InChIKeyUVYWONZWJOEVQT-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.71
Rot. Bonds3

About 3-methyl-1-quinoxalin-2-ylbutan-1-ol

3-methyl-1-quinoxalin-2-ylbutan-1-ol (PubChem CID 107357530) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-methyl-1-quinoxalin-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-methyl-1-quinoxalin-2-ylbutan-1-ol
PubChem CID107357530
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-methyl-1-quinoxalin-2-ylbutan-1-ol
SMILESCC(C)CC(O)c1cnc2ccccc2n1
InChIInChI=1S/C13H16N2O/c1-9(2)7-13(16)12-8-14-10-5-3-4-6-11(10)15-12/h3-6,8-9,13,16H,7H2,1-2H3
InChIKeyUVYWONZWJOEVQT-UHFFFAOYSA-N
XLogP2.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-quinoxalin-2-ylbutan-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-quinoxalin-2-ylbutan-1-ol?
The IUPAC name of 3-methyl-1-quinoxalin-2-ylbutan-1-ol (CID 107357530) is 3-methyl-1-quinoxalin-2-ylbutan-1-ol.
What is the SMILES notation for 3-methyl-1-quinoxalin-2-ylbutan-1-ol?
The canonical SMILES for 3-methyl-1-quinoxalin-2-ylbutan-1-ol is CC(C)CC(O)c1cnc2ccccc2n1.
What is the InChIKey of 3-methyl-1-quinoxalin-2-ylbutan-1-ol?
The InChIKey is UVYWONZWJOEVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)7-13(16)12-8-14-10-5-3-4-6-11(10)15-12/h3-6,8-9,13,16H,7H2,1-2H3.
What are the key properties of 3-methyl-1-quinoxalin-2-ylbutan-1-ol?
3-methyl-1-quinoxalin-2-ylbutan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-quinoxalin-2-ylbutan-1-ol is sourced from PubChem (CID 107357530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).