4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one

C17H18N2O — CID 117006699

IUPAC4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one
SMILESCc1ccc(N2CC(=O)N(C)c3ccccc32)c(C)c1
InChIInChI=1S/C17H18N2O/c1-12-8-9-14(13(2)10-12)19-11-17(20)18(3)15-6-4-5-7-16(15)19/h4-10H,11H2,1-3H3
InChIKeyUGEXPZKCBJUWTM-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.42
Rot. Bonds1

About 4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one

4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one (PubChem CID 117006699) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one
PubChem CID117006699
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one
SMILESCc1ccc(N2CC(=O)N(C)c3ccccc32)c(C)c1
InChIInChI=1S/C17H18N2O/c1-12-8-9-14(13(2)10-12)19-11-17(20)18(3)15-6-4-5-7-16(15)19/h4-10H,11H2,1-3H3
InChIKeyUGEXPZKCBJUWTM-UHFFFAOYSA-N
XLogP3.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-(2,4-dimethylphenyl)piperazin-2-one
CID 6487972
4-fluoro-1-methyl-3H-quinoxalin-2-one
CID 156700555
4-methyl-3-oxo-2H-quinoxaline-1-carbonitrile
CID 117030793
4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 168688073
1,3-bis(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
CID 5121465
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
1-methyl-4-[(3-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one
CID 110669660
1-(2,4-dimethylphenyl)-1,4-diazocan-2-one
CID 117016162
1-(2,4-dimethylphenyl)pyrrolidin-3-one
CID 23052705
4-(2,4-dimethylphenyl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023670
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
1-(2,4-dimethylphenyl)-3-sulfanylidenepyrrolidine-2,5-dione
CID 45118559

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one?
The IUPAC name of 4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one (CID 117006699) is 4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one is Cc1ccc(N2CC(=O)N(C)c3ccccc32)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one?
The InChIKey is UGEXPZKCBJUWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-8-9-14(13(2)10-12)19-11-17(20)18(3)15-6-4-5-7-16(15)19/h4-10H,11H2,1-3H3.
What are the key properties of 4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one?
4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-1-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 117006699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).