4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide

C28H29N3O5S — CID 25123806

IUPAC4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)c3n2)cc(OC)c1OC
InChIInChI=1S/C28H29N3O5S/c1-34-25-15-21(16-26(35-2)28(25)36-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-37(32,33)14-12-31/h4-10,15-17H,11-14,18H2,1-3H3
InChIKeyHLGHAHZUUARNCW-UHFFFAOYSA-N
MW519.62 g/mol
LogP4.22
Rot. Bonds7

About 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide

4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 25123806) has the molecular formula C28H29N3O5S and a molecular weight of 519.62 g/mol. Its IUPAC name is 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID25123806
Molecular FormulaC28H29N3O5S
Molecular Weight519.62 g/mol
Exact Mass519.18
IUPAC Name4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)c3n2)cc(OC)c1OC
InChIInChI=1S/C28H29N3O5S/c1-34-25-15-21(16-26(35-2)28(25)36-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-37(32,33)14-12-31/h4-10,15-17H,11-14,18H2,1-3H3
InChIKeyHLGHAHZUUARNCW-UHFFFAOYSA-N
XLogP4.22
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.62
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide
CID 25128110
4-[[2,6-Difluoro-4-[3-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 59392765
Morpholino(4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl)phenyl)methanone
CID 25123154
1-Morpholino-2-(4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl)phenyl)ethanone
CID 25123155
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone
CID 25123472
4-(4-(3-(3,4,5-Trimethoxyphenyl)quinoxalin-5-yl)benzyl)morpholine
CID 25123474
4-(2-Fluoro-4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl)benzyl)morpholine
CID 25123807
8-(3-Methyl-4-morpholin-4-ylmethyl-phenyl)-2-(3,4,5-trimethoxy-phenyl)-quinoxaline
CID 25123808
2-(4-(7-Fluoro-3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl)phenyl)-1-morpholinoethanone
CID 46885053
4-(3-Methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl)benzyl)morpholine
CID 46885231
4-(3-Fluoro-4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl)benzyl)morpholine
CID 46885232
4-[4-[4-Methyl-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]-1,4-thiazinane 1,1-dioxide
CID 156021063

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide (CID 25123806) is 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide is COc1cc(-c2cnc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)c3n2)cc(OC)c1OC.
What is the InChIKey of 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is HLGHAHZUUARNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5S/c1-34-25-15-21(16-26(35-2)28(25)36-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-37(32,33)14-12-31/h4-10,15-17H,11-14,18H2,1-3H3.
What are the key properties of 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide?
4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 519.62 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 25123806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).