8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine

C24H21N5 — CID 122689036

IUPAC8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine
SMILESCC(Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1)c1ccncc1
InChIInChI=1S/C24H21N5/c1-16(17-5-8-25-9-6-17)28-20-14-21(24-22(15-20)26-10-11-27-24)19-4-3-18-7-12-29(2)23(18)13-19/h3-16,28H,1-2H3
InChIKeyNXJOLTFDAMZCHN-UHFFFAOYSA-N
MW379.47 g/mol
LogP5.36
Rot. Bonds4

About 8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine

8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine (PubChem CID 122689036) 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-4-ylethyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine
PubChem CID122689036
Molecular FormulaC24H21N5
Molecular Weight379.47 g/mol
Exact Mass379.18
IUPAC Name8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine
SMILESCC(Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1)c1ccncc1
InChIInChI=1S/C24H21N5/c1-16(17-5-8-25-9-6-17)28-20-14-21(24-22(15-20)26-10-11-27-24)19-4-3-18-7-12-29(2)23(18)13-19/h3-16,28H,1-2H3
InChIKeyNXJOLTFDAMZCHN-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-3-ylethyl)quinoxalin-6-amine
CID 122689144
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
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
N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 134509466
8-(1-methylindol-6-yl)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 122689414
8-(1-methylindol-6-yl)-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine
CID 122689341
ethane;N-[(Z)-2-(ethylideneamino)-1-(1-methylpiperidin-4-yl)but-2-enyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 145185125
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzamide
CID 122690617
8-(1-methylindol-6-yl)-N-(3-methylsulfinyl-2-pyridinyl)quinoxalin-6-amine
CID 145185389
8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
CID 134540243

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine?
The IUPAC name of 8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine (CID 122689036) is 8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine?
The canonical SMILES for 8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine is CC(Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1)c1ccncc1.
What is the InChIKey of 8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine?
The InChIKey is NXJOLTFDAMZCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5/c1-16(17-5-8-25-9-6-17)28-20-14-21(24-22(15-20)26-10-11-27-24)19-4-3-18-7-12-29(2)23(18)13-19/h3-16,28H,1-2H3.
What are the key properties of 8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine?
8-(1-methylindol-6-yl)-N-(1-pyridin-4-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-4-ylethyl)quinoxalin-6-amine is sourced from PubChem (CID 122689036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).