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

C24H23N3O6S — CID 146341283

IUPAC1-O-methyl 4-O-pyridin-3-yl 2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate
SMILESCOC(=O)N1c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2N(C(=O)Oc2cccnc2)CC1C
InChIInChI=1S/C24H23N3O6S/c1-16-15-26(23(28)33-19-5-4-12-25-14-19)22-13-18(8-11-21(22)27(16)24(29)32-2)17-6-9-20(10-7-17)34(3,30)31/h4-14,16H,15H2,1-3H3
InChIKeyQMBLZHLKRRTCCW-UHFFFAOYSA-N
MW481.53 g/mol
LogP4.13
Rot. Bonds3

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

1-O-methyl 4-O-pyridin-3-yl 2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate (PubChem CID 146341283) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is 1-O-methyl 4-O-pyridin-3-yl 2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-methyl 4-O-pyridin-3-yl 2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate
PubChem CID146341283
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC Name1-O-methyl 4-O-pyridin-3-yl 2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate
SMILESCOC(=O)N1c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2N(C(=O)Oc2cccnc2)CC1C
InChIInChI=1S/C24H23N3O6S/c1-16-15-26(23(28)33-19-5-4-12-25-14-19)22-13-18(8-11-21(22)27(16)24(29)32-2)17-6-9-20(10-7-17)34(3,30)31/h4-14,16H,15H2,1-3H3
InChIKeyQMBLZHLKRRTCCW-UHFFFAOYSA-N
XLogP4.13
TPSA106.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(4-fluorophenyl) 4-acetyl-3-methyl-7-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 123397485
1-O-methyl 4-O-piperidin-2-yl (2S)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate
CID 144846532
1-[4-acetyl-3-methyl-7-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123591534
butyl 4-acetyl-3-methyl-7-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 123180331
1-[(2S)-2-methyl-6-(4-methylsulfonylphenyl)-4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079753
1-[(2S)-4-(cyclopentanecarbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118080045
1-[4-(cyclobutanecarbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123759905
ethyl (3S)-4-acetyl-7-(4-ethylsulfonylphenyl)-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 118080828
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-[2-methyl-4-(5-methylsulfonylfuran-2-carbonyl)-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123605641
4,5-dihydro-1,2-oxazol-5-yl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 163745014
(3S)-4-acetyl-3-methyl-7-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1-carbaldehyde
CID 118079019

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 4-O-pyridin-3-yl 2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate?
The IUPAC name of 1-O-methyl 4-O-pyridin-3-yl 2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate (CID 146341283) is 1-O-methyl 4-O-pyridin-3-yl 2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate.
What is the SMILES notation for 1-O-methyl 4-O-pyridin-3-yl 2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate?
The canonical SMILES for 1-O-methyl 4-O-pyridin-3-yl 2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate is COC(=O)N1c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2N(C(=O)Oc2cccnc2)CC1C.
What is the InChIKey of 1-O-methyl 4-O-pyridin-3-yl 2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate?
The InChIKey is QMBLZHLKRRTCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-16-15-26(23(28)33-19-5-4-12-25-14-19)22-13-18(8-11-21(22)27(16)24(29)32-2)17-6-9-20(10-7-17)34(3,30)31/h4-14,16H,15H2,1-3H3.
What are the key properties of 1-O-methyl 4-O-pyridin-3-yl 2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate?
1-O-methyl 4-O-pyridin-3-yl 2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate has a molecular weight of 481.53 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 4-O-pyridin-3-yl 2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1,4-dicarboxylate is sourced from PubChem (CID 146341283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).