1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate

C24H29N3O6S — CID 144846532

IUPAC1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate
SMILESCOC(=O)N1c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2N(C(=O)OC2CCCCN2)C[C@@H]1C
InChIInChI=1S/C24H29N3O6S/c1-16-15-26(23(28)33-22-6-4-5-13-25-22)21-14-18(9-12-20(21)27(16)24(29)32-2)17-7-10-19(11-8-17)34(3,30)31/h7-12,14,16,22,25H,4-6,13,15H2,1-3H3/t16-,22?/m0/s1
InChIKeyAXZHPQSBASFKJH-CISYCMJJSA-N
MW487.58 g/mol
LogP3.77
Rot. Bonds3

About 1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate

1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate (PubChem CID 144846532) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is 1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate
PubChem CID144846532
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Name1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate
SMILESCOC(=O)N1c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2N(C(=O)OC2CCCCN2)C[C@@H]1C
InChIInChI=1S/C24H29N3O6S/c1-16-15-26(23(28)33-22-6-4-5-13-25-22)21-14-18(9-12-20(21)27(16)24(29)32-2)17-7-10-19(11-8-17)34(3,30)31/h7-12,14,16,22,25H,4-6,13,15H2,1-3H3/t16-,22?/m0/s1
InChIKeyAXZHPQSBASFKJH-CISYCMJJSA-N
XLogP3.77
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate with MolForge

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Related Compounds

1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-[4-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydroquinoxaline-1,4-dicarboxylate
CID 144846573
1-O-methyl 4-O-pyridin-3-yl 2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate
CID 146341283
1-[4-acetyl-3-methyl-7-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123591534
1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118080045
butyl 4-acetyl-3-methyl-7-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 123180331
(4-fluorophenyl) 4-acetyl-3-methyl-7-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 123397485
1-[4-(cyclobutanecarbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123759905
cyclohexyl 4-acetyl-7-[4-(tert-butylsulfamoyl)phenyl]-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 123659597
piperidin-2-yl (3S)-4-acetyl-3-methyl-7-[1-(2-methylsulfonylethyl)pyrazolidin-4-yl]-2,3-dihydroquinoxaline-1-carboxylate
CID 139393781
cyclohexyl (3S)-4-acetyl-7-(4-fluoro-3-methylsulfonylphenyl)-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 118318010
1-[2-methyl-4-(5-methylsulfonylfuran-2-carbonyl)-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123605641
cyclohexyl (3S)-4-acetyl-3-methyl-7-(3-sulfamoylphenyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 118081048

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate?
The IUPAC name of 1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate (CID 144846532) is 1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate.
What is the SMILES notation for 1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate?
The canonical SMILES for 1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate is COC(=O)N1c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2N(C(=O)OC2CCCCN2)C[C@@H]1C.
What is the InChIKey of 1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate?
The InChIKey is AXZHPQSBASFKJH-CISYCMJJSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-16-15-26(23(28)33-22-6-4-5-13-25-22)21-14-18(9-12-20(21)27(16)24(29)32-2)17-7-10-19(11-8-17)34(3,30)31/h7-12,14,16,22,25H,4-6,13,15H2,1-3H3/t16-,22?/m0/s1.
What are the key properties of 1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate?
1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate has a molecular weight of 487.58 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate is sourced from PubChem (CID 144846532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).