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

C24H20N4O2S — CID 122698115

IUPAC8-(1-methylindol-6-yl)-N-(2-methylsulfonylphenyl)quinoxalin-6-amine
SMILESCn1ccc2ccc(-c3cc(Nc4ccccc4S(C)(=O)=O)cc4nccnc34)cc21
InChIInChI=1S/C24H20N4O2S/c1-28-12-9-16-7-8-17(13-22(16)28)19-14-18(15-21-24(19)26-11-10-25-21)27-20-5-3-4-6-23(20)31(2,29)30/h3-15,27H,1-2H3
InChIKeyRGKAIQDQGWPKEQ-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.94
Rot. Bonds4

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

8-(1-methylindol-6-yl)-N-(2-methylsulfonylphenyl)quinoxalin-6-amine (PubChem CID 122698115) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 8-(1-methylindol-6-yl)-N-(2-methylsulfonylphenyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(1-methylindol-6-yl)-N-(2-methylsulfonylphenyl)quinoxalin-6-amine
PubChem CID122698115
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name8-(1-methylindol-6-yl)-N-(2-methylsulfonylphenyl)quinoxalin-6-amine
SMILESCn1ccc2ccc(-c3cc(Nc4ccccc4S(C)(=O)=O)cc4nccnc34)cc21
InChIInChI=1S/C24H20N4O2S/c1-28-12-9-16-7-8-17(13-22(16)28)19-14-18(15-21-24(19)26-11-10-25-21)27-20-5-3-4-6-23(20)31(2,29)30/h3-15,27H,1-2H3
InChIKeyRGKAIQDQGWPKEQ-UHFFFAOYSA-N
XLogP4.94
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methylsulfonylphenyl)quinoxalin-6-amine?
The IUPAC name of 8-(1-methylindol-6-yl)-N-(2-methylsulfonylphenyl)quinoxalin-6-amine (CID 122698115) is 8-(1-methylindol-6-yl)-N-(2-methylsulfonylphenyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(1-methylindol-6-yl)-N-(2-methylsulfonylphenyl)quinoxalin-6-amine?
The canonical SMILES for 8-(1-methylindol-6-yl)-N-(2-methylsulfonylphenyl)quinoxalin-6-amine is Cn1ccc2ccc(-c3cc(Nc4ccccc4S(C)(=O)=O)cc4nccnc34)cc21.
What is the InChIKey of 8-(1-methylindol-6-yl)-N-(2-methylsulfonylphenyl)quinoxalin-6-amine?
The InChIKey is RGKAIQDQGWPKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-28-12-9-16-7-8-17(13-22(16)28)19-14-18(15-21-24(19)26-11-10-25-21)27-20-5-3-4-6-23(20)31(2,29)30/h3-15,27H,1-2H3.
What are the key properties of 8-(1-methylindol-6-yl)-N-(2-methylsulfonylphenyl)quinoxalin-6-amine?
8-(1-methylindol-6-yl)-N-(2-methylsulfonylphenyl)quinoxalin-6-amine has a molecular weight of 428.52 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylindol-6-yl)-N-(2-methylsulfonylphenyl)quinoxalin-6-amine is sourced from PubChem (CID 122698115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).