N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine

C₂₄H₁₅F₂N₃S — CID 164608888

About N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine

N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine (PubChem CID 164608888) has the molecular formula C₂₄H₁₅F₂N₃S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine.

Molecular Properties

• Compound Name: N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine
• PubChem CID: 164608888
• Molecular Formula: C₂₄H₁₅F₂N₃S
• Molecular Weight: 415.47 g/mol
• Exact Mass: 415.10
• IUPAC Name: N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine
• SMILES: Fc1ccc(F)c(-c2cc(Nc3ccnc4cc(-c5ccsc5)ccc34)ccn2)c1
• InChI: InChI=1S/C24H15F2N3S/c25-17-2-4-21(26)20(12-17)24-13-18(5-8-27-24)29-22-6-9-28-23-11-15(1-3-19(22)23)16-7-10-30-14-16/h1-14H,(H,27,28,29)
• InChIKey: WWTRLLIXWASYDX-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 37.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.47
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine?

The IUPAC name of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine (CID 164608888) is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine.

What is the SMILES notation for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine?

The canonical SMILES for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine is Fc1ccc(F)c(-c2cc(Nc3ccnc4cc(-c5ccsc5)ccc34)ccn2)c1.

What is the InChIKey of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine?

The InChIKey is WWTRLLIXWASYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N3S/c25-17-2-4-21(26)20(12-17)24-13-18(5-8-27-24)29-22-6-9-28-23-11-15(1-3-19(22)23)16-7-10-30-14-16/h1-14H,(H,27,28,29).

What are the key properties of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine?

N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine has a molecular weight of 415.47 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine is sourced from PubChem (CID 164608888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164608888 — identifiers, structure, computed properties (public domain)

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