methyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate

C14H19FN2O4S — CID 124588513

IUPACmethyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)CS(=O)(=O)N1CCN(C)c2cc(F)ccc21
InChIInChI=1S/C14H19FN2O4S/c1-10(14(18)21-3)9-22(19,20)17-7-6-16(2)13-8-11(15)4-5-12(13)17/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m0/s1
InChIKeyRYHJVNMZIZYMSV-JTQLQIEISA-N
MW330.38 g/mol
LogP1.22
Rot. Bonds4

About methyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate

methyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate (PubChem CID 124588513) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is methyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate
PubChem CID124588513
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Namemethyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)CS(=O)(=O)N1CCN(C)c2cc(F)ccc21
InChIInChI=1S/C14H19FN2O4S/c1-10(14(18)21-3)9-22(19,20)17-7-6-16(2)13-8-11(15)4-5-12(13)17/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m0/s1
InChIKeyRYHJVNMZIZYMSV-JTQLQIEISA-N
XLogP1.22
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate with MolForge

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Related Compounds

2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 119899727
methyl 3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 103497970
3-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 119899739
6-fluoro-4-methyl-1-propan-2-yl-2,3-dihydroquinoxaline
CID 166553115
methyl (2S)-3-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylsulfamoyl]-2-methylpropanoate
CID 124588411
methyl 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]-2-methylpropanoate
CID 66363540
1-[(4-fluorophenyl)methylsulfonyl]-4-methyl-2,3-dihydroquinoxaline
CID 110715152
1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole
CID 113249349
4-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 119994278
methyl 1-[(2S)-2-methoxypropyl]sulfonyl-2,3-dihydroindole-5-carboxylate
CID 129479747
methyl 2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)propanoate
CID 103501861
methyl (2S)-3-[2-(3-fluorophenyl)propan-2-ylsulfamoyl]-2-methylpropanoate
CID 129392760

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate (CID 124588513) is methyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate is COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(C)c2cc(F)ccc21.
What is the InChIKey of methyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate?
The InChIKey is RYHJVNMZIZYMSV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-10(14(18)21-3)9-22(19,20)17-7-6-16(2)13-8-11(15)4-5-12(13)17/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m0/s1.
What are the key properties of methyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate?
methyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate has a molecular weight of 330.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)sulfonyl]-2-methylpropanoate is sourced from PubChem (CID 124588513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).