8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine

C23H19N5 — CID 134540243

IUPAC8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
SMILESCC(Nc1cc(-c2ccc3cc[nH]c3c2)c2nccnc2c1)c1cccnc1
InChIInChI=1S/C23H19N5/c1-15(18-3-2-7-24-14-18)28-19-12-20(23-22(13-19)26-9-10-27-23)17-5-4-16-6-8-25-21(16)11-17/h2-15,25,28H,1H3
InChIKeyIJZMFXUOFNFLBN-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.35
Rot. Bonds4

About 8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine

8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine (PubChem CID 134540243) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
PubChem CID134540243
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
SMILESCC(Nc1cc(-c2ccc3cc[nH]c3c2)c2nccnc2c1)c1cccnc1
InChIInChI=1S/C23H19N5/c1-15(18-3-2-7-24-14-18)28-19-12-20(23-22(13-19)26-9-10-27-23)17-5-4-16-6-8-25-21(16)11-17/h2-15,25,28H,1H3
InChIKeyIJZMFXUOFNFLBN-UHFFFAOYSA-N
XLogP5.35
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine?
The IUPAC name of 8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine (CID 134540243) is 8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine?
The canonical SMILES for 8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine is CC(Nc1cc(-c2ccc3cc[nH]c3c2)c2nccnc2c1)c1cccnc1.
What is the InChIKey of 8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine?
The InChIKey is IJZMFXUOFNFLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-15(18-3-2-7-24-14-18)28-19-12-20(23-22(13-19)26-9-10-27-23)17-5-4-16-6-8-25-21(16)11-17/h2-15,25,28H,1H3.
What are the key properties of 8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine?
8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine has a molecular weight of 365.44 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine is sourced from PubChem (CID 134540243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).