8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine

C28H28N6 — CID 122689347

IUPAC8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine
SMILESCn1ccc2ccc(-c3cc(NC(c4ccncc4)C4CCNCC4)cc4nccnc34)cc21
InChIInChI=1S/C28H28N6/c1-34-15-8-19-2-3-22(16-26(19)34)24-17-23(18-25-28(24)32-14-13-31-25)33-27(20-4-9-29-10-5-20)21-6-11-30-12-7-21/h2-5,8-10,13-18,21,27,30,33H,6-7,11-12H2,1H3
InChIKeyQBWHCFVWOCFFGX-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.34
Rot. Bonds5

About 8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine

8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine (PubChem CID 122689347) has the molecular formula C28H28N6 and a molecular weight of 448.57 g/mol. Its IUPAC name is 8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine.

Molecular Properties

Compound Name8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine
PubChem CID122689347
Molecular FormulaC28H28N6
Molecular Weight448.57 g/mol
Exact Mass448.24
IUPAC Name8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine
SMILESCn1ccc2ccc(-c3cc(NC(c4ccncc4)C4CCNCC4)cc4nccnc34)cc21
InChIInChI=1S/C28H28N6/c1-34-15-8-19-2-3-22(16-26(19)34)24-17-23(18-25-28(24)32-14-13-31-25)33-27(20-4-9-29-10-5-20)21-6-11-30-12-7-21/h2-5,8-10,13-18,21,27,30,33H,6-7,11-12H2,1H3
InChIKeyQBWHCFVWOCFFGX-UHFFFAOYSA-N
XLogP5.34
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-pyridin-3-ylethyl)quinoxalin-6-amine
CID 122689144
8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine
CID 122689287
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
ethane;4-[7-[[piperidin-4-yl(pyridin-3-yl)methyl]amino]quinoxalin-5-yl]benzenethiol
CID 145185016
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
N-[(R)-(3-methylimidazol-4-yl)-(1-methylpyrazol-4-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 134509286
ethane;N-[(Z)-2-(ethylideneamino)-1-(1-methylpiperidin-4-yl)but-2-enyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 145185125
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-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]quinoxalin-6-amine
CID 122689341
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 122689360
N-(3,4-dihydro-2H-chromen-4-yl)-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 122689013

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine?
The IUPAC name of 8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine (CID 122689347) is 8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine.
What is the SMILES notation for 8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine?
The canonical SMILES for 8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine is Cn1ccc2ccc(-c3cc(NC(c4ccncc4)C4CCNCC4)cc4nccnc34)cc21.
What is the InChIKey of 8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine?
The InChIKey is QBWHCFVWOCFFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6/c1-34-15-8-19-2-3-22(16-26(19)34)24-17-23(18-25-28(24)32-14-13-31-25)33-27(20-4-9-29-10-5-20)21-6-11-30-12-7-21/h2-5,8-10,13-18,21,27,30,33H,6-7,11-12H2,1H3.
What are the key properties of 8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine?
8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine has a molecular weight of 448.57 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylindol-6-yl)-N-[piperidin-4-yl(pyridin-4-yl)methyl]quinoxalin-6-amine is sourced from PubChem (CID 122689347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).