N-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide

C22H14F3N3O — CID 142723928

IUPACN-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide
SMILESO=C(Nc1ncc(C(F)(F)F)cc1-c1ccccc1)c1ccnc2ccccc12
InChIInChI=1S/C22H14F3N3O/c23-22(24,25)15-12-18(14-6-2-1-3-7-14)20(27-13-15)28-21(29)17-10-11-26-19-9-5-4-8-16(17)19/h1-13H,(H,27,28,29)
InChIKeyJNNYPJHRENYYHF-UHFFFAOYSA-N
MW393.37 g/mol
LogP5.57
Rot. Bonds3

About N-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide

N-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide (PubChem CID 142723928) has the molecular formula C22H14F3N3O and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide
PubChem CID142723928
Molecular FormulaC22H14F3N3O
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC NameN-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide
SMILESO=C(Nc1ncc(C(F)(F)F)cc1-c1ccccc1)c1ccnc2ccccc12
InChIInChI=1S/C22H14F3N3O/c23-22(24,25)15-12-18(14-6-2-1-3-7-14)20(27-13-15)28-21(29)17-10-11-26-19-9-5-4-8-16(17)19/h1-13H,(H,27,28,29)
InChIKeyJNNYPJHRENYYHF-UHFFFAOYSA-N
XLogP5.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.37
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide?
The IUPAC name of N-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide (CID 142723928) is N-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide?
The canonical SMILES for N-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide is O=C(Nc1ncc(C(F)(F)F)cc1-c1ccccc1)c1ccnc2ccccc12.
What is the InChIKey of N-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide?
The InChIKey is JNNYPJHRENYYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O/c23-22(24,25)15-12-18(14-6-2-1-3-7-14)20(27-13-15)28-21(29)17-10-11-26-19-9-5-4-8-16(17)19/h1-13H,(H,27,28,29).
What are the key properties of N-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide?
N-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]quinoline-4-carboxamide is sourced from PubChem (CID 142723928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).