1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one

C17H22N2O — CID 23041914

IUPAC1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one
SMILESCCCC(=O)c1cc2nc(CC)c(CC)nc2cc1C
InChIInChI=1S/C17H22N2O/c1-5-8-17(20)12-10-16-15(9-11(12)4)18-13(6-2)14(7-3)19-16/h9-10H,5-8H2,1-4H3
InChIKeyWNIWBGODYRLOPX-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.05
Rot. Bonds5

About 1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one

1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one (PubChem CID 23041914) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one.

Molecular Properties

Compound Name1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one
PubChem CID23041914
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one
SMILESCCCC(=O)c1cc2nc(CC)c(CC)nc2cc1C
InChIInChI=1S/C17H22N2O/c1-5-8-17(20)12-10-16-15(9-11(12)4)18-13(6-2)14(7-3)19-16/h9-10H,5-8H2,1-4H3
InChIKeyWNIWBGODYRLOPX-UHFFFAOYSA-N
XLogP4.05
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935
1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one
CID 81251881
5-butanoyl-1,6-dimethylbenzimidazole-2-carboxylate
CID 86737105
5-butanoyl-1-ethyl-6-methylbenzimidazole-2-carbaldehyde
CID 20546803
2,3-diethylquinoxaline-6-carboxamide
CID 53015593
1-(2,4,5-trimethylphenyl)nonan-1-one
CID 112698850
1-(2,5-dibromo-4-butanoylphenyl)butan-1-one
CID 126580916
1-[2-(hydroxymethyl)-1,6-dimethylbenzimidazol-5-yl]heptan-1-one
CID 13060687
N,2,3-triethylquinoxaline-6-carboxamide
CID 22588073
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
3-amino-1-(2,4,5-trimethylphenyl)propan-1-one
CID 82281454
1-[6-[difluoro(phosphanyl)methyl]-2-ethyl-3-pyridinyl]butan-1-one;ethane
CID 143699558

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one?
The IUPAC name of 1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one (CID 23041914) is 1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one.
What is the SMILES notation for 1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one?
The canonical SMILES for 1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one is CCCC(=O)c1cc2nc(CC)c(CC)nc2cc1C.
What is the InChIKey of 1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one?
The InChIKey is WNIWBGODYRLOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-8-17(20)12-10-16-15(9-11(12)4)18-13(6-2)14(7-3)19-16/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one?
1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one has a molecular weight of 270.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one is sourced from PubChem (CID 23041914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).