8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline

C₅₈H₃₂N₁₀S — CID 141366383

About 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline

8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline (PubChem CID 141366383) has the molecular formula C₅₈H₃₂N₁₀S and a molecular weight of 901.03 g/mol. Its IUPAC name is 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline.

Molecular Properties

• Compound Name: 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline
• PubChem CID: 141366383
• Molecular Formula: C₅₈H₃₂N₁₀S
• Molecular Weight: 901.03 g/mol
• Exact Mass: 900.25
• IUPAC Name: 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline
• SMILES: c1ccc2nc(-c3c(-c4nccc5ccccc45)c(-c4ncc5ccccc5n4)c4c(-c5cnc6ccccc6n5)c(-c5ccc6cccnc6n5)nnc4c3-c3cc4ccccc4s3)ccc2c1
• InChI: InChI=1S/C58H32N10S/c1-5-17-38-33(12-1)27-29-59-54(38)51-48(43-25-23-34-13-2-6-18-39(34)63-43)50(47-30-36-14-4-10-22-46(36)69-47)56-52(53(51)58-62-31-37-15-3-7-19-40(37)65-58)49(45-32-61-41-20-8-9-21-42(41)64-45)55(67-68-56)44-26-24-35-16-11-28-60-57(35)66-44/h1-32H
• InChIKey: UWWSYZRRHWHLIG-UHFFFAOYSA-N
• XLogP: 13.77
• TPSA: 128.90 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	901.03
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline?

The IUPAC name of 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline (CID 141366383) is 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline.

What is the SMILES notation for 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline?

The canonical SMILES for 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline is c1ccc2nc(-c3c(-c4nccc5ccccc45)c(-c4ncc5ccccc5n4)c4c(-c5cnc6ccccc6n5)c(-c5ccc6cccnc6n5)nnc4c3-c3cc4ccccc4s3)ccc2c1.

What is the InChIKey of 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline?

The InChIKey is UWWSYZRRHWHLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H32N10S/c1-5-17-38-33(12-1)27-29-59-54(38)51-48(43-25-23-34-13-2-6-18-39(34)63-43)50(47-30-36-14-4-10-22-46(36)69-47)56-52(53(51)58-62-31-37-15-3-7-19-40(37)65-58)49(45-32-61-41-20-8-9-21-42(41)64-45)55(67-68-56)44-26-24-35-16-11-28-60-57(35)66-44/h1-32H.

What are the key properties of 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline?

8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline has a molecular weight of 901.03 g/mol, XLogP of 13.77, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-benzothiophen-2-yl)-6-isoquinolin-1-yl-3-(1,8-naphthyridin-2-yl)-5-quinazolin-2-yl-7-quinolin-2-yl-4-quinoxalin-2-ylcinnoline is sourced from PubChem (CID 141366383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141366383 — identifiers, structure, computed properties (public domain)

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