3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one

C17H16N2O — CID 13170889

IUPAC3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
SMILESCc1ccc(Cn2c(=O)c(C)nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O/c1-12-7-9-14(10-8-12)11-19-16-6-4-3-5-15(16)18-13(2)17(19)20/h3-10H,11H2,1-2H3
InChIKeyYRXSSFADWIQUBJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.06
Rot. Bonds2

About 3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one

3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one (PubChem CID 13170889) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
PubChem CID13170889
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
SMILESCc1ccc(Cn2c(=O)c(C)nc3ccccc32)cc1
InChIInChI=1S/C17H16N2O/c1-12-7-9-14(10-8-12)11-19-16-6-4-3-5-15(16)18-13(2)17(19)20/h3-10H,11H2,1-2H3
InChIKeyYRXSSFADWIQUBJ-UHFFFAOYSA-N
XLogP3.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one
CID 62374868
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-propylbenzamide
CID 46324669
1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone
CID 11715904
N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 92869667
2-(1-chloroethyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 43666398
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one
CID 72940907
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one
CID 79765497
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 46324693
N-[(3-chlorophenyl)methyl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324645

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one?
The IUPAC name of 3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one (CID 13170889) is 3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one.
What is the SMILES notation for 3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one?
The canonical SMILES for 3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one is Cc1ccc(Cn2c(=O)c(C)nc3ccccc32)cc1.
What is the InChIKey of 3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one?
The InChIKey is YRXSSFADWIQUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-7-9-14(10-8-12)11-19-16-6-4-3-5-15(16)18-13(2)17(19)20/h3-10H,11H2,1-2H3.
What are the key properties of 3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one?
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one has a molecular weight of 264.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one is sourced from PubChem (CID 13170889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).