8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine

C23H19N5OS — CID 145185389

IUPAC8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine
SMILESCn1ccc2ccc(-c3cc(Nc4ncccc4S(C)=O)cc4nccnc34)cc21
InChIInChI=1S/C23H19N5OS/c1-28-11-7-15-5-6-16(12-20(15)28)18-13-17(14-19-22(18)25-10-9-24-19)27-23-21(30(2)29)4-3-8-26-23/h3-14H,1-2H3,(H,26,27)
InChIKeyNSDHPFFBDBAVHO-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.66
Rot. Bonds4

About 8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine

8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine (PubChem CID 145185389) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is 8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine
PubChem CID145185389
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC Name8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine
SMILESCn1ccc2ccc(-c3cc(Nc4ncccc4S(C)=O)cc4nccnc34)cc21
InChIInChI=1S/C23H19N5OS/c1-28-11-7-15-5-6-16(12-20(15)28)18-13-17(14-19-22(18)25-10-9-24-19)27-23-21(30(2)29)4-3-8-26-23/h3-14H,1-2H3,(H,26,27)
InChIKeyNSDHPFFBDBAVHO-UHFFFAOYSA-N
XLogP4.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.66
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-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine?
The IUPAC name of 8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine (CID 145185389) is 8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine?
The canonical SMILES for 8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine is Cn1ccc2ccc(-c3cc(Nc4ncccc4S(C)=O)cc4nccnc34)cc21.
What is the InChIKey of 8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine?
The InChIKey is NSDHPFFBDBAVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-28-11-7-15-5-6-16(12-20(15)28)18-13-17(14-19-22(18)25-10-9-24-19)27-23-21(30(2)29)4-3-8-26-23/h3-14H,1-2H3,(H,26,27).
What are the key properties of 8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine?
8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine has a molecular weight of 413.51 g/mol, XLogP of 4.66, 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-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine is sourced from PubChem (CID 145185389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).