3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one

C13H20N2OSi — CID 91735401

IUPAC3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one
SMILESCCC1C(=O)Nc2ccccc2N1[Si](C)(C)C
InChIInChI=1S/C13H20N2OSi/c1-5-11-13(16)14-10-8-6-7-9-12(10)15(11)17(2,3)4/h6-9,11H,5H2,1-4H3,(H,14,16)
InChIKeyKSZNCWQAKUOIKK-UHFFFAOYSA-N
MW248.40 g/mol
LogP3.06
Rot. Bonds2

About 3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one

3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one (PubChem CID 91735401) has the molecular formula C13H20N2OSi and a molecular weight of 248.40 g/mol. Its IUPAC name is 3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one
PubChem CID91735401
Molecular FormulaC13H20N2OSi
Molecular Weight248.40 g/mol
Exact Mass248.13
IUPAC Name3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one
SMILESCCC1C(=O)Nc2ccccc2N1[Si](C)(C)C
InChIInChI=1S/C13H20N2OSi/c1-5-11-13(16)14-10-8-6-7-9-12(10)15(11)17(2,3)4/h6-9,11H,5H2,1-4H3,(H,14,16)
InChIKeyKSZNCWQAKUOIKK-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 71173465
4-hydroxy-3-(2-methylsulfanylethyl)-1,3-dihydroquinoxalin-2-one
CID 69327612
2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 79295856
4-ethyl-3-(2-methylbutan-2-yl)-1,3-dihydroquinoxalin-2-one
CID 71048281
(2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide
CID 177274192
3-amino-5-propoxy-1H-1,5-benzodiazepine-2,4-dione;dihydrochloride
CID 90185727
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170319935
(3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-ethyl-1,3-dihydroquinoxalin-2-one
CID 122164734
3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid
CID 82790655
(3S)-4-(3-chloropropanoyl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 155924384
methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate
CID 86593353

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one (CID 91735401) is 3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one is CCC1C(=O)Nc2ccccc2N1[Si](C)(C)C.
What is the InChIKey of 3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is KSZNCWQAKUOIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OSi/c1-5-11-13(16)14-10-8-6-7-9-12(10)15(11)17(2,3)4/h6-9,11H,5H2,1-4H3,(H,14,16).
What are the key properties of 3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one?
3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 248.40 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 91735401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).