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

C24H21N5 — CID 122689144

IUPAC8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
SMILESCC(Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1)c1cccnc1
InChIInChI=1S/C24H21N5/c1-16(19-4-3-8-25-15-19)28-20-13-21(24-22(14-20)26-9-10-27-24)18-6-5-17-7-11-29(2)23(17)12-18/h3-16,28H,1-2H3
InChIKeyLPLAHTIXWYCFLA-UHFFFAOYSA-N
MW379.47 g/mol
LogP5.36
Rot. Bonds4

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

8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine (PubChem CID 122689144) has the molecular formula C24H21N5 and a molecular weight of 379.47 g/mol. Its IUPAC name is 8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
PubChem CID122689144
Molecular FormulaC24H21N5
Molecular Weight379.47 g/mol
Exact Mass379.18
IUPAC Name8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
SMILESCC(Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1)c1cccnc1
InChIInChI=1S/C24H21N5/c1-16(19-4-3-8-25-15-19)28-20-13-21(24-22(14-20)26-9-10-27-24)18-6-5-17-7-11-29(2)23(17)12-18/h3-16,28H,1-2H3
InChIKeyLPLAHTIXWYCFLA-UHFFFAOYSA-N
XLogP5.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.47
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine
CID 122689036
8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine
CID 122689287
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 122689360
N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 134509466
8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
CID 134540243
N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide
CID 158436803
8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine
CID 122689347
N-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 134509286
6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one
CID 122689019
N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-8-(1-methylpyrrolo[3,2-b]pyridin-6-yl)quinoxalin-6-amine
CID 134509543
2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide;2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetic acid;2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetonitrile
CID 161434655
8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane
CID 145185350

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine?
The IUPAC name of 8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine (CID 122689144) is 8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine?
The canonical SMILES for 8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine is CC(Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1)c1cccnc1.
What is the InChIKey of 8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine?
The InChIKey is LPLAHTIXWYCFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5/c1-16(19-4-3-8-25-15-19)28-20-13-21(24-22(14-20)26-9-10-27-24)18-6-5-17-7-11-29(2)23(17)12-18/h3-16,28H,1-2H3.
What are the key properties of 8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine?
8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine has a molecular weight of 379.47 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine is sourced from PubChem (CID 122689144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).