2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile

C22H12Cl2N4S — CID 69156709

About 2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile

2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile (PubChem CID 69156709) has the molecular formula C22H12Cl2N4S and a molecular weight of 435.34 g/mol. Its IUPAC name is 2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile.

Molecular Properties

• Compound Name: 2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
• PubChem CID: 69156709
• Molecular Formula: C22H12Cl2N4S
• Molecular Weight: 435.34 g/mol
• Exact Mass: 434.02
• IUPAC Name: 2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile
• SMILES: N#CCc1ccc(-n2cnc3cnc4cc(Cl)c(-c5cccs5)cc4c32)c(Cl)c1
• InChI: InChI=1S/C22H12Cl2N4S/c23-16-10-18-15(9-14(16)21-2-1-7-29-21)22-19(11-26-18)27-12-28(22)20-4-3-13(5-6-25)8-17(20)24/h1-4,7-12H,5H2
• InChIKey: IVLNRICOAAVOCJ-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 54.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.34
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile?

The IUPAC name of 2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile (CID 69156709) is 2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile.

What is the SMILES notation for 2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile?

The canonical SMILES for 2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile is N#CCc1ccc(-n2cnc3cnc4cc(Cl)c(-c5cccs5)cc4c32)c(Cl)c1.

What is the InChIKey of 2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile?

The InChIKey is IVLNRICOAAVOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl2N4S/c23-16-10-18-15(9-14(16)21-2-1-7-29-21)22-19(11-26-18)27-12-28(22)20-4-3-13(5-6-25)8-17(20)24/h1-4,7-12H,5H2.

What are the key properties of 2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile?

2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile has a molecular weight of 435.34 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-chloro-4-(7-chloro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]acetonitrile is sourced from PubChem (CID 69156709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).