6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide

C₂₄H₂₇F₂N₃O₂ — CID 142580511

About 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide

6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide (PubChem CID 142580511) has the molecular formula C₂₄H₂₇F₂N₃O₂ and a molecular weight of 427.50 g/mol. Its IUPAC name is 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide.

Molecular Properties

• Compound Name: 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide
• PubChem CID: 142580511
• Molecular Formula: C₂₄H₂₇F₂N₃O₂
• Molecular Weight: 427.50 g/mol
• Exact Mass: 427.21
• IUPAC Name: 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide
• SMILES: O=C(CCCCCc1ccc2c(c1)CCCN2C(=O)C1(F)CC1)Nc1ccc(F)cn1
• InChI: InChI=1S/C24H27F2N3O2/c25-19-9-11-21(27-16-19)28-22(30)7-3-1-2-5-17-8-10-20-18(15-17)6-4-14-29(20)23(31)24(26)12-13-24/h8-11,15-16H,1-7,12-14H2,(H,27,28,30)
• InChIKey: BPALNZOCFMVBNW-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.50
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide?

The IUPAC name of 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide (CID 142580511) is 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide.

What is the SMILES notation for 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide?

The canonical SMILES for 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide is O=C(CCCCCc1ccc2c(c1)CCCN2C(=O)C1(F)CC1)Nc1ccc(F)cn1.

What is the InChIKey of 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide?

The InChIKey is BPALNZOCFMVBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O2/c25-19-9-11-21(27-16-19)28-22(30)7-3-1-2-5-17-8-10-20-18(15-17)6-4-14-29(20)23(31)24(26)12-13-24/h8-11,15-16H,1-7,12-14H2,(H,27,28,30).

What are the key properties of 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide?

6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide has a molecular weight of 427.50 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(1-fluorocyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(5-fluoro-2-pyridinyl)hexanamide is sourced from PubChem (CID 142580511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142580511 — identifiers, structure, computed properties (public domain)

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