5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one

C12H16N2O — CID 84620322

IUPAC5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
SMILESCCc1cccc2c1NC(C)(C)C(=O)N2
InChIInChI=1S/C12H16N2O/c1-4-8-6-5-7-9-10(8)14-12(2,3)11(15)13-9/h5-7,14H,4H2,1-3H3,(H,13,15)
InChIKeyWEWBEIQPBVQIFV-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.39
Rot. Bonds1

About 5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one

5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one (PubChem CID 84620322) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
PubChem CID84620322
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
SMILESCCc1cccc2c1NC(C)(C)C(=O)N2
InChIInChI=1S/C12H16N2O/c1-4-8-6-5-7-9-10(8)14-12(2,3)11(15)13-9/h5-7,14H,4H2,1-3H3,(H,13,15)
InChIKeyWEWBEIQPBVQIFV-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-oxo-1,4-dihydroquinoxaline-5-carboxylic acid
CID 112577462
3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane
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3,3-dimethyl-8-methylsulfonyl-1,4-dihydroquinoxalin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one?
The IUPAC name of 5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one (CID 84620322) is 5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one?
The canonical SMILES for 5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one is CCc1cccc2c1NC(C)(C)C(=O)N2.
What is the InChIKey of 5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one?
The InChIKey is WEWBEIQPBVQIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-4-8-6-5-7-9-10(8)14-12(2,3)11(15)13-9/h5-7,14H,4H2,1-3H3,(H,13,15).
What are the key properties of 5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one?
5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84620322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).