7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole

C23H28N2O5S — CID 11704937

IUPAC7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCOc1ccc(-c2c3n(c4cc(OC)c(OC)cc24)CCN(S(=O)(=O)C(C)C)C3)cc1
InChIInChI=1S/C23H28N2O5S/c1-15(2)31(26,27)24-10-11-25-19-13-22(30-5)21(29-4)12-18(19)23(20(25)14-24)16-6-8-17(28-3)9-7-16/h6-9,12-13,15H,10-11,14H2,1-5H3
InChIKeyCROSEMLHHCGFEG-UHFFFAOYSA-N
MW444.55 g/mol
LogP3.89
Rot. Bonds6

About 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole

7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole (PubChem CID 11704937) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole.

Molecular Properties

Compound Name7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
PubChem CID11704937
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Name7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCOc1ccc(-c2c3n(c4cc(OC)c(OC)cc24)CCN(S(=O)(=O)C(C)C)C3)cc1
InChIInChI=1S/C23H28N2O5S/c1-15(2)31(26,27)24-10-11-25-19-13-22(30-5)21(29-4)12-18(19)23(20(25)14-24)16-6-8-17(28-3)9-7-16/h6-9,12-13,15H,10-11,14H2,1-5H3
InChIKeyCROSEMLHHCGFEG-UHFFFAOYSA-N
XLogP3.89
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7,8-dimethoxy-10-(4-methoxyphenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 69106577
7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide
CID 11661197
2-(4-methoxyphenyl)-5-(1-propan-2-ylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
CID 126456821
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CID 69106698
1-[(2S)-butan-2-yl]sulfonyl-4-(4-methoxyphenyl)piperazine
CID 97263321
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162
1-butan-2-yl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 113072995
6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one
CID 11782327
5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene
CID 19431302
1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one
CID 66242832
1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 998107

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The IUPAC name of 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole (CID 11704937) is 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole.
What is the SMILES notation for 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The canonical SMILES for 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole is COc1ccc(-c2c3n(c4cc(OC)c(OC)cc24)CCN(S(=O)(=O)C(C)C)C3)cc1.
What is the InChIKey of 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The InChIKey is CROSEMLHHCGFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-15(2)31(26,27)24-10-11-25-19-13-22(30-5)21(29-4)12-18(19)23(20(25)14-24)16-6-8-17(28-3)9-7-16/h6-9,12-13,15H,10-11,14H2,1-5H3.
What are the key properties of 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole has a molecular weight of 444.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole is sourced from PubChem (CID 11704937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).