4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline

C37H22N10OS — CID 140998497

About 4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline

4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline (PubChem CID 140998497) has the molecular formula C37H22N10OS and a molecular weight of 654.72 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline.

Molecular Properties

• Compound Name: 4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline
• PubChem CID: 140998497
• Molecular Formula: C37H22N10OS
• Molecular Weight: 654.72 g/mol
• Exact Mass: 654.17
• IUPAC Name: 4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline
• SMILES: c1ccc(-c2c(-c3ncccn3)c(-c3cnccn3)c(-c3ccnnn3)c3c(-c4ccco4)c(-c4ccc[nH]4)c(-c4cccs4)nc23)nc1
• InChI: InChI=1S/C37H22N10OS/c1-2-12-39-22(7-1)31-34(37-42-14-6-15-43-37)29(25-21-38-17-18-41-25)28(24-11-16-44-47-46-24)33-32(26-9-4-19-48-26)30(23-8-3-13-40-23)35(45-36(31)33)27-10-5-20-49-27/h1-21,40H
• InChIKey: XQLPVCICBCHLKM-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 144.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	654.72
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline?

The IUPAC name of 4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline (CID 140998497) is 4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline.

What is the SMILES notation for 4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline?

The canonical SMILES for 4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline is c1ccc(-c2c(-c3ncccn3)c(-c3cnccn3)c(-c3ccnnn3)c3c(-c4ccco4)c(-c4ccc[nH]4)c(-c4cccs4)nc23)nc1.

What is the InChIKey of 4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline?

The InChIKey is XQLPVCICBCHLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N10OS/c1-2-12-39-22(7-1)31-34(37-42-14-6-15-43-37)29(25-21-38-17-18-41-25)28(24-11-16-44-47-46-24)33-32(26-9-4-19-48-26)30(23-8-3-13-40-23)35(45-36(31)33)27-10-5-20-49-27/h1-21,40H.

What are the key properties of 4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline?

4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline has a molecular weight of 654.72 g/mol, XLogP of 8.05, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-6-pyrazin-2-yl-8-pyridin-2-yl-7-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-2-thiophen-2-yl-5-(triazin-4-yl)quinoline is sourced from PubChem (CID 140998497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).