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

C23H20N6 — CID 122689287

IUPAC8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine
SMILESCC(Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1)c1cnccn1
InChIInChI=1S/C23H20N6/c1-15(21-14-24-6-7-26-21)28-18-12-19(23-20(13-18)25-8-9-27-23)17-4-3-16-5-10-29(2)22(16)11-17/h3-15,28H,1-2H3
InChIKeyNEZAOVGAVDAYQC-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.75
Rot. Bonds4

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

8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine (PubChem CID 122689287) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine
PubChem CID122689287
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine
SMILESCC(Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1)c1cnccn1
InChIInChI=1S/C23H20N6/c1-15(21-14-24-6-7-26-21)28-18-12-19(23-20(13-18)25-8-9-27-23)17-4-3-16-5-10-29(2)22(16)11-17/h3-15,28H,1-2H3
InChIKeyNEZAOVGAVDAYQC-UHFFFAOYSA-N
XLogP4.75
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.75
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-(1-pyrazin-2-ylethyl)quinoxalin-6-amine?
The IUPAC name of 8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine (CID 122689287) is 8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine?
The canonical SMILES for 8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine is CC(Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1)c1cnccn1.
What is the InChIKey of 8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine?
The InChIKey is NEZAOVGAVDAYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-15(21-14-24-6-7-26-21)28-18-12-19(23-20(13-18)25-8-9-27-23)17-4-3-16-5-10-29(2)22(16)11-17/h3-15,28H,1-2H3.
What are the key properties of 8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine?
8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine has a molecular weight of 380.46 g/mol, XLogP of 4.75, 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-(1-pyrazin-2-ylethyl)quinoxalin-6-amine is sourced from PubChem (CID 122689287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).