4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide

C20H17F3N2O3 — CID 54679574

IUPAC4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)Nc2ccccc2C(F)(F)F)c(O)c2ccccc21
InChIInChI=1S/C20H17F3N2O3/c1-2-11-25-15-10-6-3-7-12(15)17(26)16(19(25)28)18(27)24-14-9-5-4-8-13(14)20(21,22)23/h3-10,26H,2,11H2,1H3,(H,24,27)
InChIKeyJNVJBRUXLPOKNC-UHFFFAOYSA-N
MW390.36 g/mol
LogP4.39
Rot. Bonds4

About 4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide

4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide (PubChem CID 54679574) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
PubChem CID54679574
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)Nc2ccccc2C(F)(F)F)c(O)c2ccccc21
InChIInChI=1S/C20H17F3N2O3/c1-2-11-25-15-10-6-3-7-12(15)17(26)16(19(25)28)18(27)24-14-9-5-4-8-13(14)20(21,22)23/h3-10,26H,2,11H2,1H3,(H,24,27)
InChIKeyJNVJBRUXLPOKNC-UHFFFAOYSA-N
XLogP4.39
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide (CID 54679574) is 4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide is CCCn1c(=O)c(C(=O)Nc2ccccc2C(F)(F)F)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The InChIKey is JNVJBRUXLPOKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-2-11-25-15-10-6-3-7-12(15)17(26)16(19(25)28)18(27)24-14-9-5-4-8-13(14)20(21,22)23/h3-10,26H,2,11H2,1H3,(H,24,27).
What are the key properties of 4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide has a molecular weight of 390.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-1-propyl-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 54679574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).