1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide

C23H16F3N3O2 — CID 57393649

IUPAC1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2ccccc21
InChIInChI=1S/C23H16F3N3O2/c1-29-13-17(20(30)16-9-5-6-10-18(16)29)22(31)28-19-12-11-15(14-7-3-2-4-8-14)21(27-19)23(24,25)26/h2-13H,1H3,(H,27,28,31)
InChIKeyAHXXBKJYVHGSMP-UHFFFAOYSA-N
MW423.39 g/mol
LogP4.87
Rot. Bonds3

About 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide

1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide (PubChem CID 57393649) has the molecular formula C23H16F3N3O2 and a molecular weight of 423.39 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide
PubChem CID57393649
Molecular FormulaC23H16F3N3O2
Molecular Weight423.39 g/mol
Exact Mass423.12
IUPAC Name1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2ccccc21
InChIInChI=1S/C23H16F3N3O2/c1-29-13-17(20(30)16-9-5-6-10-18(16)29)22(31)28-19-12-11-15(14-7-3-2-4-8-14)21(27-19)23(24,25)26/h2-13H,1H3,(H,27,28,31)
InChIKeyAHXXBKJYVHGSMP-UHFFFAOYSA-N
XLogP4.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide (CID 57393649) is 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide is Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2ccccc21.
What is the InChIKey of 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide?
The InChIKey is AHXXBKJYVHGSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O2/c1-29-13-17(20(30)16-9-5-6-10-18(16)29)22(31)28-19-12-11-15(14-7-3-2-4-8-14)21(27-19)23(24,25)26/h2-13H,1H3,(H,27,28,31).
What are the key properties of 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide?
1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide has a molecular weight of 423.39 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-[5-phenyl-6-(trifluoromethyl)-2-pyridinyl]quinoline-3-carboxamide is sourced from PubChem (CID 57393649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).