6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline

C₂₁H₁₂ClFN₄ — CID 66573861

About 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline

6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline (PubChem CID 66573861) has the molecular formula C₂₁H₁₂ClFN₄ and a molecular weight of 374.81 g/mol. Its IUPAC name is 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline.

Molecular Properties

• Compound Name: 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline
• PubChem CID: 66573861
• Molecular Formula: C₂₁H₁₂ClFN₄
• Molecular Weight: 374.81 g/mol
• Exact Mass: 374.07
• IUPAC Name: 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline
• SMILES: Fc1ccc(-c2cc(-c3nc4ncccc4[nH]3)c3cc(Cl)ccc3n2)cc1
• InChI: InChI=1S/C21H12ClFN4/c22-13-5-8-17-15(10-13)16(20-26-18-2-1-9-24-21(18)27-20)11-19(25-17)12-3-6-14(23)7-4-12/h1-11H,(H,24,26,27)
• InChIKey: HFEVHJZPGMMQLI-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.81
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline?

The IUPAC name of 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline (CID 66573861) is 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline.

What is the SMILES notation for 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline?

The canonical SMILES for 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline is Fc1ccc(-c2cc(-c3nc4ncccc4[nH]3)c3cc(Cl)ccc3n2)cc1.

What is the InChIKey of 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline?

The InChIKey is HFEVHJZPGMMQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClFN4/c22-13-5-8-17-15(10-13)16(20-26-18-2-1-9-24-21(18)27-20)11-19(25-17)12-3-6-14(23)7-4-12/h1-11H,(H,24,26,27).

What are the key properties of 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline?

6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline has a molecular weight of 374.81 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-(4-fluorophenyl)-4-(1H-imidazo[4,5-b]pyridin-2-yl)quinoline is sourced from PubChem (CID 66573861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66573861 — identifiers, structure, computed properties (public domain)

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