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

C23H28N2O5S — CID 69106577

IUPAC7,8-dimethoxy-10-(4-methoxyphenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCCCS(=O)(=O)N1CCn2c(c(-c3ccc(OC)cc3)c3cc(OC)c(OC)cc32)C1
InChIInChI=1S/C23H28N2O5S/c1-5-12-31(26,27)24-10-11-25-19-14-22(30-4)21(29-3)13-18(19)23(20(25)15-24)16-6-8-17(28-2)9-7-16/h6-9,13-14H,5,10-12,15H2,1-4H3
InChIKeyISACQMXNEQENJO-UHFFFAOYSA-N
MW444.55 g/mol
LogP3.89
Rot. Bonds7

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

7,8-dimethoxy-10-(4-methoxyphenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole (PubChem CID 69106577) 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-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole.

Molecular Properties

Compound Name7,8-dimethoxy-10-(4-methoxyphenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
PubChem CID69106577
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Name7,8-dimethoxy-10-(4-methoxyphenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCCCS(=O)(=O)N1CCn2c(c(-c3ccc(OC)cc3)c3cc(OC)c(OC)cc32)C1
InChIInChI=1S/C23H28N2O5S/c1-5-12-31(26,27)24-10-11-25-19-14-22(30-4)21(29-3)13-18(19)23(20(25)15-24)16-6-8-17(28-2)9-7-16/h6-9,13-14H,5,10-12,15H2,1-4H3
InChIKeyISACQMXNEQENJO-UHFFFAOYSA-N
XLogP3.89
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
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-propan-2-ylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 11704937
7,8-dimethoxy-10-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxamide
CID 11661197
1-[(3,4-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazine
CID 770674
8-methoxy-2-propylsulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089353
2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 1151700
4-(4-methoxyphenyl)sulfonyl-1-propylsulfonylpiperidine
CID 90592067
3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine
CID 90593675
2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 5308283
(1R,9S)-5-(4-methoxyphenyl)-11-propylsulfonyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 162824372
1-[2-(dimethylamino)ethyl]-5,6-dimethoxy-3-(4-methoxyphenyl)indole-2-carboxylic acid
CID 69106698
1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine
CID 113080589
oxalic acid;1-propylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 90481320

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The IUPAC name of 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole (CID 69106577) is 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole.
What is the SMILES notation for 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The canonical SMILES for 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole is CCCS(=O)(=O)N1CCn2c(c(-c3ccc(OC)cc3)c3cc(OC)c(OC)cc32)C1.
What is the InChIKey of 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The InChIKey is ISACQMXNEQENJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-5-12-31(26,27)24-10-11-25-19-14-22(30-4)21(29-3)13-18(19)23(20(25)15-24)16-6-8-17(28-2)9-7-16/h6-9,13-14H,5,10-12,15H2,1-4H3.
What are the key properties of 7,8-dimethoxy-10-(4-methoxyphenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
7,8-dimethoxy-10-(4-methoxyphenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole has a molecular weight of 444.55 g/mol, XLogP of 3.89, 7 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-propylsulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole is sourced from PubChem (CID 69106577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).