3-Quinoxalin-2-ylbutan-2-one

C12H12N2O — CID 63196763

IUPAC3-quinoxalin-2-ylbutan-2-one
SMILESCC(C1=NC2=CC=CC=C2N=C1)C(=O)C
InChIInChI=1S/C12H12N2O/c1-8(9(2)15)12-7-13-10-5-3-4-6-11(10)14-12/h3-8H,1-2H3
InChIKeyYYGZOUSKMHGJQE-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.40
Rot. Bonds2

About 3-Quinoxalin-2-ylbutan-2-one

3-Quinoxalin-2-ylbutan-2-one (PubChem CID 63196763) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-quinoxalin-2-ylbutan-2-one.

Molecular Properties

Compound Name3-Quinoxalin-2-ylbutan-2-one
PubChem CID63196763
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-quinoxalin-2-ylbutan-2-one
SMILESCC(C1=NC2=CC=CC=C2N=C1)C(=O)C
InChIInChI=1S/C12H12N2O/c1-8(9(2)15)12-7-13-10-5-3-4-6-11(10)14-12/h3-8H,1-2H3
InChIKeyYYGZOUSKMHGJQE-UHFFFAOYSA-N
XLogP1.40
TPSA42.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity242

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methylquinoxaline
CID 61670
Quinoxaline
CID 7045
2-Methylquinoxaline
CID 23686
6-Methylquinoxaline
CID 242567
Quinoxaline-2-carbaldehyde oxime
CID 135645583
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 2447060
1-Methylquinoxalin-1-ium iodide
CID 11651946
3-Quinoxalin-2-ylprop-2-ynal
CID 22630909
2,7-Dimethylquinoxaline
CID 12589165
2-Ethylquinoxaline
CID 12361187
1-Methylquinoxalin-1-ium
CID 162162
1-(Quinoxalin-2-yl)ethan-1-one
CID 11105814

Frequently Asked Questions

What is the IUPAC name of 3-Quinoxalin-2-ylbutan-2-one?
The IUPAC name of 3-Quinoxalin-2-ylbutan-2-one (CID 63196763) is 3-quinoxalin-2-ylbutan-2-one.
What is the SMILES notation for 3-Quinoxalin-2-ylbutan-2-one?
The canonical SMILES for 3-Quinoxalin-2-ylbutan-2-one is CC(C1=NC2=CC=CC=C2N=C1)C(=O)C.
What is the InChIKey of 3-Quinoxalin-2-ylbutan-2-one?
The InChIKey is YYGZOUSKMHGJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8(9(2)15)12-7-13-10-5-3-4-6-11(10)14-12/h3-8H,1-2H3.
What are the key properties of 3-Quinoxalin-2-ylbutan-2-one?
3-Quinoxalin-2-ylbutan-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Quinoxalin-2-ylbutan-2-one is sourced from PubChem (CID 63196763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).