2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline

C26H26N6 — CID 108776851

IUPAC2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline
SMILESc1ccc2nc(N3CCN(c4ccc(-c5ccc6c(c5)CCCC6)nn4)CC3)cnc2c1
InChIInChI=1S/C26H26N6/c1-2-6-20-17-21(10-9-19(20)5-1)22-11-12-25(30-29-22)31-13-15-32(16-14-31)26-18-27-23-7-3-4-8-24(23)28-26/h3-4,7-12,17-18H,1-2,5-6,13-16H2
InChIKeyVHCVRTXMWIDMQV-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.29
Rot. Bonds3

About 2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline

2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline (PubChem CID 108776851) has the molecular formula C26H26N6 and a molecular weight of 422.54 g/mol. Its IUPAC name is 2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline
PubChem CID108776851
Molecular FormulaC26H26N6
Molecular Weight422.54 g/mol
Exact Mass422.22
IUPAC Name2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline
SMILESc1ccc2nc(N3CCN(c4ccc(-c5ccc6c(c5)CCCC6)nn4)CC3)cnc2c1
InChIInChI=1S/C26H26N6/c1-2-6-20-17-21(10-9-19(20)5-1)22-11-12-25(30-29-22)31-13-15-32(16-14-31)26-18-27-23-7-3-4-8-24(23)28-26/h3-4,7-12,17-18H,1-2,5-6,13-16H2
InChIKeyVHCVRTXMWIDMQV-UHFFFAOYSA-N
XLogP4.29
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline?
The IUPAC name of 2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline (CID 108776851) is 2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline is c1ccc2nc(N3CCN(c4ccc(-c5ccc6c(c5)CCCC6)nn4)CC3)cnc2c1.
What is the InChIKey of 2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline?
The InChIKey is VHCVRTXMWIDMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6/c1-2-6-20-17-21(10-9-19(20)5-1)22-11-12-25(30-29-22)31-13-15-32(16-14-31)26-18-27-23-7-3-4-8-24(23)28-26/h3-4,7-12,17-18H,1-2,5-6,13-16H2.
What are the key properties of 2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline?
2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline has a molecular weight of 422.54 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-yl]piperazin-1-yl]quinoxaline is sourced from PubChem (CID 108776851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).