1-quinoxalin-2-ylbutan-1-one

C12H12N2O — CID 14895791

IUPAC1-quinoxalin-2-ylbutan-1-one
SMILESCCCC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C12H12N2O/c1-2-5-12(15)11-8-13-9-6-3-4-7-10(9)14-11/h3-4,6-8H,2,5H2,1H3
InChIKeyCZHFBZSVIUWBIW-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.61
Rot. Bonds3

About 1-quinoxalin-2-ylbutan-1-one

1-quinoxalin-2-ylbutan-1-one (PubChem CID 14895791) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-quinoxalin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-quinoxalin-2-ylbutan-1-one
PubChem CID14895791
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-quinoxalin-2-ylbutan-1-one
SMILESCCCC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C12H12N2O/c1-2-5-12(15)11-8-13-9-6-3-4-7-10(9)14-11/h3-4,6-8H,2,5H2,1H3
InChIKeyCZHFBZSVIUWBIW-UHFFFAOYSA-N
XLogP2.61
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Quinoxaline
CID 7045
Quinoxaline-2-carboxylic acid
CID 96695
2-Methylquinoxaline
CID 23686
Quinoxaline-2-carboxamide
CID 78857
BG-45
CID 16773791
Methyl quinoxaline-2-carboxylate
CID 478049
N-pyridin-3-ylquinoxaline-2-carboxamide
CID 3237194
N-cyclopentylquinoxaline-2-carboxamide
CID 3432949
3-Methylquinoxaline-2-carbaldehyde
CID 588800
Quinoxaline-2-carbaldehyde
CID 594088
N-cyclohexylquinoxaline-2-carboxamide
CID 7678291
N-phenyl-2-quinoxalinecarboxamide
CID 822281

Frequently Asked Questions

What is the IUPAC name of 1-quinoxalin-2-ylbutan-1-one?
The IUPAC name of 1-quinoxalin-2-ylbutan-1-one (CID 14895791) is 1-quinoxalin-2-ylbutan-1-one.
What is the SMILES notation for 1-quinoxalin-2-ylbutan-1-one?
The canonical SMILES for 1-quinoxalin-2-ylbutan-1-one is CCCC(=O)c1cnc2ccccc2n1.
What is the InChIKey of 1-quinoxalin-2-ylbutan-1-one?
The InChIKey is CZHFBZSVIUWBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-5-12(15)11-8-13-9-6-3-4-7-10(9)14-11/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 1-quinoxalin-2-ylbutan-1-one?
1-quinoxalin-2-ylbutan-1-one has a molecular weight of 200.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinoxalin-2-ylbutan-1-one is sourced from PubChem (CID 14895791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).