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

C19H15F3N2O3 — CID 90801358

IUPAC1-ethyl-4-hydroxy-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c(O)c2ccccc21
InChIInChI=1S/C19H15F3N2O3/c1-2-24-14-6-4-3-5-13(14)16(25)15(18(24)27)17(26)23-12-9-7-11(8-10-12)19(20,21)22/h3-10,25H,2H2,1H3,(H,23,26)
InChIKeyRHSHZSZQZHUREW-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.00
Rot. Bonds3

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

1-ethyl-4-hydroxy-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide (PubChem CID 90801358) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
PubChem CID90801358
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name1-ethyl-4-hydroxy-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c(O)c2ccccc21
InChIInChI=1S/C19H15F3N2O3/c1-2-24-14-6-4-3-5-13(14)16(25)15(18(24)27)17(26)23-12-9-7-11(8-10-12)19(20,21)22/h3-10,25H,2H2,1H3,(H,23,26)
InChIKeyRHSHZSZQZHUREW-UHFFFAOYSA-N
XLogP4.00
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide (CID 90801358) is 1-ethyl-4-hydroxy-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide is CCn1c(=O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The InChIKey is RHSHZSZQZHUREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-2-24-14-6-4-3-5-13(14)16(25)15(18(24)27)17(26)23-12-9-7-11(8-10-12)19(20,21)22/h3-10,25H,2H2,1H3,(H,23,26).
What are the key properties of 1-ethyl-4-hydroxy-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
1-ethyl-4-hydroxy-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide has a molecular weight of 376.33 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 90801358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).