2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide

C17H10F3N3O2 — CID 139187793

IUPAC2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide
SMILESO=Cc1ccc2cccc(C(=O)Nc3ccc(C(F)(F)F)cn3)c2n1
InChIInChI=1S/C17H10F3N3O2/c18-17(19,20)11-5-7-14(21-8-11)23-16(25)13-3-1-2-10-4-6-12(9-24)22-15(10)13/h1-9H,(H,21,23,25)
InChIKeyRJUAKORAVOTBIE-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.71
Rot. Bonds3

About 2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide

2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide (PubChem CID 139187793) has the molecular formula C17H10F3N3O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide
PubChem CID139187793
Molecular FormulaC17H10F3N3O2
Molecular Weight345.28 g/mol
Exact Mass345.07
IUPAC Name2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide
SMILESO=Cc1ccc2cccc(C(=O)Nc3ccc(C(F)(F)F)cn3)c2n1
InChIInChI=1S/C17H10F3N3O2/c18-17(19,20)11-5-7-14(21-8-11)23-16(25)13-3-1-2-10-4-6-12(9-24)22-15(10)13/h1-9H,(H,21,23,25)
InChIKeyRJUAKORAVOTBIE-UHFFFAOYSA-N
XLogP3.71
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide?
The IUPAC name of 2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide (CID 139187793) is 2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide.
What is the SMILES notation for 2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide?
The canonical SMILES for 2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide is O=Cc1ccc2cccc(C(=O)Nc3ccc(C(F)(F)F)cn3)c2n1.
What is the InChIKey of 2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide?
The InChIKey is RJUAKORAVOTBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2/c18-17(19,20)11-5-7-14(21-8-11)23-16(25)13-3-1-2-10-4-6-12(9-24)22-15(10)13/h1-9H,(H,21,23,25).
What are the key properties of 2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide?
2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide has a molecular weight of 345.28 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-[5-(trifluoromethyl)-2-pyridinyl]quinoline-8-carboxamide is sourced from PubChem (CID 139187793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).