4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one

C19H20N2O3 — CID 26860757

IUPAC4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(C)c(OCC(=O)N2CC(=O)Nc3ccccc32)c(C)c1
InChIInChI=1S/C19H20N2O3/c1-12-8-13(2)19(14(3)9-12)24-11-18(23)21-10-17(22)20-15-6-4-5-7-16(15)21/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyHHVSQXDGLKDYFA-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.98
Rot. Bonds3

About 4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 26860757) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID26860757
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(C)c(OCC(=O)N2CC(=O)Nc3ccccc32)c(C)c1
InChIInChI=1S/C19H20N2O3/c1-12-8-13(2)19(14(3)9-12)24-11-18(23)21-10-17(22)20-15-6-4-5-7-16(15)21/h4-9H,10-11H2,1-3H3,(H,20,22)
InChIKeyHHVSQXDGLKDYFA-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-ethoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860466
4-[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
CID 8563603
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-methylbenzoate
CID 2506258
4-[2-(3-phenoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 2640660
4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
CID 17450632
4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
CID 7818538
N-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]phenyl]acetamide
CID 2411041
trans-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776857
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-methoxyphenoxy)acetate
CID 7854017
4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860602
2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
CID 2706735

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one (CID 26860757) is 4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one is Cc1cc(C)c(OCC(=O)N2CC(=O)Nc3ccccc32)c(C)c1.
What is the InChIKey of 4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is HHVSQXDGLKDYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-8-13(2)19(14(3)9-12)24-11-18(23)21-10-17(22)20-15-6-4-5-7-16(15)21/h4-9H,10-11H2,1-3H3,(H,20,22).
What are the key properties of 4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 26860757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).