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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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).