8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine

C27H26N6O2S — CID 134463137

IUPAC8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine
SMILESCn1ccc2ccc(-c3cc(Nc4ccccc4S(=O)(=O)N4CCNCC4)cc4nccnc34)cc21
InChIInChI=1S/C27H26N6O2S/c1-32-13-8-19-6-7-20(16-25(19)32)22-17-21(18-24-27(22)30-10-9-29-24)31-23-4-2-3-5-26(23)36(34,35)33-14-11-28-12-15-33/h2-10,13,16-18,28,31H,11-12,14-15H2,1H3
InChIKeyIMOZMVBYTKRUIU-UHFFFAOYSA-N
MW498.61 g/mol
LogP4.13
Rot. Bonds5

About 8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine

8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine (PubChem CID 134463137) has the molecular formula C27H26N6O2S and a molecular weight of 498.61 g/mol. Its IUPAC name is 8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine
PubChem CID134463137
Molecular FormulaC27H26N6O2S
Molecular Weight498.61 g/mol
Exact Mass498.18
IUPAC Name8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine
SMILESCn1ccc2ccc(-c3cc(Nc4ccccc4S(=O)(=O)N4CCNCC4)cc4nccnc34)cc21
InChIInChI=1S/C27H26N6O2S/c1-32-13-8-19-6-7-20(16-25(19)32)22-17-21(18-24-27(22)30-10-9-29-24)31-23-4-2-3-5-26(23)36(34,35)33-14-11-28-12-15-33/h2-10,13,16-18,28,31H,11-12,14-15H2,1H3
InChIKeyIMOZMVBYTKRUIU-UHFFFAOYSA-N
XLogP4.13
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine?
The IUPAC name of 8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine (CID 134463137) is 8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine?
The canonical SMILES for 8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine is Cn1ccc2ccc(-c3cc(Nc4ccccc4S(=O)(=O)N4CCNCC4)cc4nccnc34)cc21.
What is the InChIKey of 8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine?
The InChIKey is IMOZMVBYTKRUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2S/c1-32-13-8-19-6-7-20(16-25(19)32)22-17-21(18-24-27(22)30-10-9-29-24)31-23-4-2-3-5-26(23)36(34,35)33-14-11-28-12-15-33/h2-10,13,16-18,28,31H,11-12,14-15H2,1H3.
What are the key properties of 8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine?
8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine has a molecular weight of 498.61 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylindol-6-yl)-N-(2-piperazin-1-ylsulfonylphenyl)quinoxalin-6-amine is sourced from PubChem (CID 134463137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).