4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one

C21H24N2O2 — CID 763775

IUPAC4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one
SMILESCC(=O)N1c2ccccc2N(Cc2ccc(C)cc2C)C(=O)C1(C)C
InChIInChI=1S/C21H24N2O2/c1-14-10-11-17(15(2)12-14)13-22-18-8-6-7-9-19(18)23(16(3)24)21(4,5)20(22)25/h6-12H,13H2,1-5H3
InChIKeyOQNJRUDOTHBYRL-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.98
Rot. Bonds2

About 4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one

4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one (PubChem CID 763775) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one.

Molecular Properties

Compound Name4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one
PubChem CID763775
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one
SMILESCC(=O)N1c2ccccc2N(Cc2ccc(C)cc2C)C(=O)C1(C)C
InChIInChI=1S/C21H24N2O2/c1-14-10-11-17(15(2)12-14)13-22-18-8-6-7-9-19(18)23(16(3)24)21(4,5)20(22)25/h6-12H,13H2,1-5H3
InChIKeyOQNJRUDOTHBYRL-UHFFFAOYSA-N
XLogP3.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one?
The IUPAC name of 4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one (CID 763775) is 4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one.
What is the SMILES notation for 4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one?
The canonical SMILES for 4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one is CC(=O)N1c2ccccc2N(Cc2ccc(C)cc2C)C(=O)C1(C)C.
What is the InChIKey of 4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one?
The InChIKey is OQNJRUDOTHBYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-10-11-17(15(2)12-14)13-22-18-8-6-7-9-19(18)23(16(3)24)21(4,5)20(22)25/h6-12H,13H2,1-5H3.
What are the key properties of 4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one?
4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one has a molecular weight of 336.44 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-[(2,4-dimethylphenyl)methyl]-3,3-dimethylquinoxalin-2-one is sourced from PubChem (CID 763775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).