1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one

C12H16N2O4S — CID 143691653

IUPAC1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one
SMILESCCN1C(=O)CN(S(C)(=O)=O)c2ccc(OC)cc21
InChIInChI=1S/C12H16N2O4S/c1-4-13-11-7-9(18-2)5-6-10(11)14(8-12(13)15)19(3,16)17/h5-7H,4,8H2,1-3H3
InChIKeyKWORMCMYZLGFTP-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.83
Rot. Bonds3

About 1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one

1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one (PubChem CID 143691653) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one
PubChem CID143691653
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one
SMILESCCN1C(=O)CN(S(C)(=O)=O)c2ccc(OC)cc21
InChIInChI=1S/C12H16N2O4S/c1-4-13-11-7-9(18-2)5-6-10(11)14(8-12(13)15)19(3,16)17/h5-7H,4,8H2,1-3H3
InChIKeyKWORMCMYZLGFTP-UHFFFAOYSA-N
XLogP0.83
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 68674815
5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108
5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione
CID 68674859
N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 41342429
7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84623560
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-2-methylbenzenesulfonamide
CID 16826952
1-(2-ethylsulfonylethyl)-5-methoxyindole-2,3-dione
CID 61355618
N-(1-ethyl-2-oxo-3H-indol-5-yl)-1-(3-methoxyphenyl)methanesulfonamide
CID 41342478
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide
CID 40889543
4-benzyl-1-ethylsulfonyl-6-methoxy-2,3-dihydroquinoxaline
CID 175211825
1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
CID 110749885
1-ethyl-4-methyl-7-propan-2-yl-3H-quinoxalin-2-one
CID 153308057

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one?
The IUPAC name of 1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one (CID 143691653) is 1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one?
The canonical SMILES for 1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one is CCN1C(=O)CN(S(C)(=O)=O)c2ccc(OC)cc21.
What is the InChIKey of 1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one?
The InChIKey is KWORMCMYZLGFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-4-13-11-7-9(18-2)5-6-10(11)14(8-12(13)15)19(3,16)17/h5-7H,4,8H2,1-3H3.
What are the key properties of 1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one?
1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one has a molecular weight of 284.34 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methoxy-4-methylsulfonyl-3H-quinoxalin-2-one is sourced from PubChem (CID 143691653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).