4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one

C17H16N2O2 — CID 62051768

IUPAC4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccccc1C(=O)CN1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H16N2O2/c1-12-6-2-3-7-13(12)16(20)10-19-11-17(21)18-14-8-4-5-9-15(14)19/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyMDOKEIQXAOZDAD-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.64
Rot. Bonds3

About 4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one

4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 62051768) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
PubChem CID62051768
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccccc1C(=O)CN1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H16N2O2/c1-12-6-2-3-7-13(12)16(20)10-19-11-17(21)18-14-8-4-5-9-15(14)19/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyMDOKEIQXAOZDAD-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679628
4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one
CID 62040796
4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679864
4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679627
N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 61206948
4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006568
4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one
CID 115994549
3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
CID 55028632
N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 140516633
4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate
CID 82774900
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one
CID 62025083

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one (CID 62051768) is 4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one is Cc1ccccc1C(=O)CN1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is MDOKEIQXAOZDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-6-2-3-7-13(12)16(20)10-19-11-17(21)18-14-8-4-5-9-15(14)19/h2-9H,10-11H2,1H3,(H,18,21).
What are the key properties of 4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 62051768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).