2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline

C29H26N6 — CID 160585473

IUPAC2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline
SMILESCN1CCN(c2ccc3c(c2)CC(c2ccc4c(c2)CC(c2cnc5ccccc5n2)=N4)=N3)CC1
InChIInChI=1S/C29H26N6/c1-34-10-12-35(13-11-34)22-7-9-24-21(15-22)16-27(31-24)19-6-8-23-20(14-19)17-28(32-23)29-18-30-25-4-2-3-5-26(25)33-29/h2-9,14-15,18H,10-13,16-17H2,1H3
InChIKeyFKSKCDHVSXJKTE-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.74
Rot. Bonds3

About 2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline

2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline (PubChem CID 160585473) has the molecular formula C29H26N6 and a molecular weight of 458.57 g/mol. Its IUPAC name is 2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline.

Molecular Properties

Compound Name2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline
PubChem CID160585473
Molecular FormulaC29H26N6
Molecular Weight458.57 g/mol
Exact Mass458.22
IUPAC Name2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline
SMILESCN1CCN(c2ccc3c(c2)CC(c2ccc4c(c2)CC(c2cnc5ccccc5n2)=N4)=N3)CC1
InChIInChI=1S/C29H26N6/c1-34-10-12-35(13-11-34)22-7-9-24-21(15-22)16-27(31-24)19-6-8-23-20(14-19)17-28(32-23)29-18-30-25-4-2-3-5-26(25)33-29/h2-9,14-15,18H,10-13,16-17H2,1H3
InChIKeyFKSKCDHVSXJKTE-UHFFFAOYSA-N
XLogP4.74
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline?
The IUPAC name of 2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline (CID 160585473) is 2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline.
What is the SMILES notation for 2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline?
The canonical SMILES for 2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline is CN1CCN(c2ccc3c(c2)CC(c2ccc4c(c2)CC(c2cnc5ccccc5n2)=N4)=N3)CC1.
What is the InChIKey of 2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline?
The InChIKey is FKSKCDHVSXJKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6/c1-34-10-12-35(13-11-34)22-7-9-24-21(15-22)16-27(31-24)19-6-8-23-20(14-19)17-28(32-23)29-18-30-25-4-2-3-5-26(25)33-29/h2-9,14-15,18H,10-13,16-17H2,1H3.
What are the key properties of 2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline?
2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline has a molecular weight of 458.57 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]quinoxaline is sourced from PubChem (CID 160585473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).