4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide

C19H15F3N2O3 — CID 54688293

IUPAC4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2c(C(F)(F)F)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C19H15F3N2O3/c1-23(11-7-4-3-5-8-11)17(26)15-16(25)14-12(19(20,21)22)9-6-10-13(14)24(2)18(15)27/h3-10,25H,1-2H3
InChIKeyFCDAIZWEMBXMNQ-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.54
Rot. Bonds2

About 4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide

4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 54688293) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID54688293
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2c(C(F)(F)F)cccc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C19H15F3N2O3/c1-23(11-7-4-3-5-8-11)17(26)15-16(25)14-12(19(20,21)22)9-6-10-13(14)24(2)18(15)27/h3-10,25H,1-2H3
InChIKeyFCDAIZWEMBXMNQ-UHFFFAOYSA-N
XLogP3.54
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Roquinimex
CID 54676478
Paquinimod
CID 54684617
4-Hydroxy-N-methylcarbostyril
CID 54686436
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
Zanthobisquinolone
CID 54688597
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one
CID 54680431
1-Butyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54683118
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid phenethyl-amide
CID 54682638
1-ethyl-4-hydroxy-N-(4-methylphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54684065
4-Hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)-1,2-dihydroquinoline-3-carboxamide
CID 54680142

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide (CID 54688293) is 4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide is CN(C(=O)c1c(O)c2c(C(F)(F)F)cccc2n(C)c1=O)c1ccccc1.
What is the InChIKey of 4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is FCDAIZWEMBXMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-23(11-7-4-3-5-8-11)17(26)15-16(25)14-12(19(20,21)22)9-6-10-13(14)24(2)18(15)27/h3-10,25H,1-2H3.
What are the key properties of 4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide?
4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 376.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-5-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 54688293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).