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

C23H15ClN4S — CID 69156254

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

3-[3-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile (PubChem CID 69156254) has the molecular formula C23H15ClN4S and a molecular weight of 414.92 g/mol. Its IUPAC name is 3-[3-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile.

Molecular Properties

• Compound Name: 3-[3-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
• PubChem CID: 69156254
• Molecular Formula: C23H15ClN4S
• Molecular Weight: 414.92 g/mol
• Exact Mass: 414.07
• IUPAC Name: 3-[3-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
• SMILES: N#CCCc1ccc(-n2cnc3cnc4ccc(-c5cccs5)cc4c32)c(Cl)c1
• InChI: InChI=1S/C23H15ClN4S/c24-18-11-15(3-1-9-25)5-8-21(18)28-14-27-20-13-26-19-7-6-16(12-17(19)23(20)28)22-4-2-10-29-22/h2,4-8,10-14H,1,3H2
• InChIKey: KSNVIVHBPZVDOI-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 54.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.92
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[3-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile (CID 69156254) is 3-[3-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile.

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

The canonical SMILES for 3-[3-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile is N#CCCc1ccc(-n2cnc3cnc4ccc(-c5cccs5)cc4c32)c(Cl)c1.

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

The InChIKey is KSNVIVHBPZVDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4S/c24-18-11-15(3-1-9-25)5-8-21(18)28-14-27-20-13-26-19-7-6-16(12-17(19)23(20)28)22-4-2-10-29-22/h2,4-8,10-14H,1,3H2.

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

3-[3-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile has a molecular weight of 414.92 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-chloro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile is sourced from PubChem (CID 69156254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).