HDVADOYYGYXCJT-UHFFFAOYSA-N

C₂₂H₁₉F₃N₄O₃ — CID 118273807

About HDVADOYYGYXCJT-UHFFFAOYSA-N

HDVADOYYGYXCJT-UHFFFAOYSA-N (PubChem CID 118273807) has the molecular formula C₂₂H₁₉F₃N₄O₃ and a molecular weight of 444.41 g/mol. Its IUPAC name is (4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

Molecular Properties

• Compound Name: HDVADOYYGYXCJT-UHFFFAOYSA-N
• PubChem CID: 118273807
• Molecular Formula: C₂₂H₁₉F₃N₄O₃
• Molecular Weight: 444.41 g/mol
• Exact Mass: 444.14
• IUPAC Name: (4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
• SMILES: CON=C1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1
• InChI: InChI=1S/C22H19F3N4O3/c1-31-28-16-8-10-29(11-9-16)21(30)19-5-2-14-12-17(4-6-18(14)27-19)32-20-7-3-15(13-26-20)22(23,24)25/h2-7,12-13H,8-11H2,1H3
• InChIKey: HDVADOYYGYXCJT-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 76.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.41
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of HDVADOYYGYXCJT-UHFFFAOYSA-N?

The IUPAC name of HDVADOYYGYXCJT-UHFFFAOYSA-N (CID 118273807) is (4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

What is the SMILES notation for HDVADOYYGYXCJT-UHFFFAOYSA-N?

The canonical SMILES for HDVADOYYGYXCJT-UHFFFAOYSA-N is CON=C1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1.

What is the InChIKey of HDVADOYYGYXCJT-UHFFFAOYSA-N?

The InChIKey is HDVADOYYGYXCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c1-31-28-16-8-10-29(11-9-16)21(30)19-5-2-14-12-17(4-6-18(14)27-19)32-20-7-3-15(13-26-20)22(23,24)25/h2-7,12-13H,8-11H2,1H3.

What are the key properties of HDVADOYYGYXCJT-UHFFFAOYSA-N?

HDVADOYYGYXCJT-UHFFFAOYSA-N has a molecular weight of 444.41 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for HDVADOYYGYXCJT-UHFFFAOYSA-N is sourced from PubChem (CID 118273807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118273807 — identifiers, structure, computed properties (public domain)

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