[8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate

C35H36N6O5 — CID 118321971

About [8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate

[8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate (PubChem CID 118321971) has the molecular formula C35H36N6O5 and a molecular weight of 620.71 g/mol. Its IUPAC name is [8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: [8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate
• PubChem CID: 118321971
• Molecular Formula: C35H36N6O5
• Molecular Weight: 620.71 g/mol
• Exact Mass: 620.27
• IUPAC Name: [8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate
• SMILES: COc1ccc(CN2CCN(Cc3ccc(NC(=O)Oc4ccc(-c5cc(OC)cc(OC)c5)c5nccnc45)nc3)CC2)cc1
• InChI: InChI=1S/C35H36N6O5/c1-43-27-7-4-24(5-8-27)22-40-14-16-41(17-15-40)23-25-6-11-32(38-21-25)39-35(42)46-31-10-9-30(33-34(31)37-13-12-36-33)26-18-28(44-2)20-29(19-26)45-3/h4-13,18-21H,14-17,22-23H2,1-3H3,(H,38,39,42)
• InChIKey: BWBHPMYHQQSPGH-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 111.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.71
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate?

The IUPAC name of [8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate (CID 118321971) is [8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate.

What is the SMILES notation for [8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate?

The canonical SMILES for [8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate is COc1ccc(CN2CCN(Cc3ccc(NC(=O)Oc4ccc(-c5cc(OC)cc(OC)c5)c5nccnc45)nc3)CC2)cc1.

What is the InChIKey of [8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate?

The InChIKey is BWBHPMYHQQSPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6O5/c1-43-27-7-4-24(5-8-27)22-40-14-16-41(17-15-40)23-25-6-11-32(38-21-25)39-35(42)46-31-10-9-30(33-34(31)37-13-12-36-33)26-18-28(44-2)20-29(19-26)45-3/h4-13,18-21H,14-17,22-23H2,1-3H3,(H,38,39,42).

What are the key properties of [8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate?

[8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate has a molecular weight of 620.71 g/mol, XLogP of 5.65, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [8-(3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 118321971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).