4-methoxy-1-quinoxalin-2-ylbutan-1-one

C13H14N2O2 — CID 107356829

IUPAC4-methoxy-1-quinoxalin-2-ylbutan-1-one
SMILESCOCCCC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C13H14N2O2/c1-17-8-4-7-13(16)12-9-14-10-5-2-3-6-11(10)15-12/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyGGSJQVSMIALFJA-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.24
Rot. Bonds5

About 4-methoxy-1-quinoxalin-2-ylbutan-1-one

4-methoxy-1-quinoxalin-2-ylbutan-1-one (PubChem CID 107356829) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-methoxy-1-quinoxalin-2-ylbutan-1-one.

Molecular Properties

Compound Name4-methoxy-1-quinoxalin-2-ylbutan-1-one
PubChem CID107356829
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-methoxy-1-quinoxalin-2-ylbutan-1-one
SMILESCOCCCC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C13H14N2O2/c1-17-8-4-7-13(16)12-9-14-10-5-2-3-6-11(10)15-12/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyGGSJQVSMIALFJA-UHFFFAOYSA-N
XLogP2.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-quinoxalin-2-ylbutan-1-one 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

Quinoxaline-2-carboxamide
CID 78857
Methyl quinoxaline-2-carboxylate
CID 478049
Quinoxaline-2-carbaldehyde
CID 594088
Ethyl 2-quinoxalinecarboxylate
CID 582701
Quinoxaline-2-carbonyl chloride
CID 2734681
N-[6-(hydroxyamino)-6-oxohexoxy]quinoxaline-2-carboxamide
CID 164625953
1-(Quinoxalin-2-yl)ethan-1-one
CID 11105814
Propyl quinoxaline-2-carboxylate
CID 477989
Morpholin-4-yl(quinoxalin-2-yl)methanone
CID 36678438
Ethyl 2-oxo-3-(2-quinoxalinyl)propanoate
CID 241503
1-(Quinoxaline-2-carbonyl)-2,3-dihydropyridin-6-one
CID 172450546
N,N-dimethylquinoxaline-2-carboxamide
CID 13297035

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-quinoxalin-2-ylbutan-1-one?
The IUPAC name of 4-methoxy-1-quinoxalin-2-ylbutan-1-one (CID 107356829) is 4-methoxy-1-quinoxalin-2-ylbutan-1-one.
What is the SMILES notation for 4-methoxy-1-quinoxalin-2-ylbutan-1-one?
The canonical SMILES for 4-methoxy-1-quinoxalin-2-ylbutan-1-one is COCCCC(=O)c1cnc2ccccc2n1.
What is the InChIKey of 4-methoxy-1-quinoxalin-2-ylbutan-1-one?
The InChIKey is GGSJQVSMIALFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-8-4-7-13(16)12-9-14-10-5-2-3-6-11(10)15-12/h2-3,5-6,9H,4,7-8H2,1H3.
What are the key properties of 4-methoxy-1-quinoxalin-2-ylbutan-1-one?
4-methoxy-1-quinoxalin-2-ylbutan-1-one has a molecular weight of 230.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-quinoxalin-2-ylbutan-1-one is sourced from PubChem (CID 107356829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).