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

C17H18N2O3S — CID 110669659

IUPAC1-methyl-4-[(2-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one
SMILESCc1ccccc1CS(=O)(=O)N1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C17H18N2O3S/c1-13-7-3-4-8-14(13)12-23(21,22)19-11-17(20)18(2)15-9-5-6-10-16(15)19/h3-10H,11-12H2,1-2H3
InChIKeyDCHAXJJUVCGKOF-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.31
Rot. Bonds3

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

1-methyl-4-[(2-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one (PubChem CID 110669659) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-methyl-4-[(2-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(2-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one
PubChem CID110669659
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-methyl-4-[(2-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one
SMILESCc1ccccc1CS(=O)(=O)N1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C17H18N2O3S/c1-13-7-3-4-8-14(13)12-23(21,22)19-11-17(20)18(2)15-9-5-6-10-16(15)19/h3-10H,11-12H2,1-2H3
InChIKeyDCHAXJJUVCGKOF-UHFFFAOYSA-N
XLogP2.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(3-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one
CID 110669660
N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 41342513
6-fluoro-1-[(2-methylphenyl)methylsulfonyl]-2,3-dihydroquinolin-4-one
CID 110635148
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110781515
1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110398861
4-fluoro-1-methyl-3H-quinoxalin-2-one
CID 156700555
1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one
CID 110669678
3-methyl-2-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline
CID 110750686
4-methyl-3-oxo-2H-quinoxaline-1-carbonitrile
CID 117030793
3-[(2-methylphenyl)methylsulfonyl]-3,8-diazabicyclo[3.2.1]octane
CID 166248639
N,N-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide
CID 110819070
7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline
CID 110749898

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one?
The IUPAC name of 1-methyl-4-[(2-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one (CID 110669659) is 1-methyl-4-[(2-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one.
What is the SMILES notation for 1-methyl-4-[(2-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one?
The canonical SMILES for 1-methyl-4-[(2-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one is Cc1ccccc1CS(=O)(=O)N1CC(=O)N(C)c2ccccc21.
What is the InChIKey of 1-methyl-4-[(2-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one?
The InChIKey is DCHAXJJUVCGKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-13-7-3-4-8-14(13)12-23(21,22)19-11-17(20)18(2)15-9-5-6-10-16(15)19/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-methyl-4-[(2-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one?
1-methyl-4-[(2-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one has a molecular weight of 330.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methylphenyl)methylsulfonyl]-3H-quinoxalin-2-one is sourced from PubChem (CID 110669659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).