1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide

C19H16F3N3O4S — CID 55791000

IUPAC1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C19H16F3N3O4S/c1-25-16-5-3-2-4-14(16)15(10-17(25)26)18(27)24-12-6-8-13(9-7-12)30(28,29)23-11-19(20,21)22/h2-10,23H,11H2,1H3,(H,24,27)
InChIKeyWRYIJVGHMBERJM-UHFFFAOYSA-N
MW439.42 g/mol
LogP2.63
Rot. Bonds5

About 1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide

1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide (PubChem CID 55791000) has the molecular formula C19H16F3N3O4S and a molecular weight of 439.42 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
PubChem CID55791000
Molecular FormulaC19H16F3N3O4S
Molecular Weight439.42 g/mol
Exact Mass439.08
IUPAC Name1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C19H16F3N3O4S/c1-25-16-5-3-2-4-14(16)15(10-17(25)26)18(27)24-12-6-8-13(9-7-12)30(28,29)23-11-19(20,21)22/h2-10,23H,11H2,1H3,(H,24,27)
InChIKeyWRYIJVGHMBERJM-UHFFFAOYSA-N
XLogP2.63
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
CID 55787470
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 91822577
N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694551
2-pyridin-4-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 25469665
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 9474695
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55786997
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55759235
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55794278
1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 24674520

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide (CID 55791000) is 1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide?
The InChIKey is WRYIJVGHMBERJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4S/c1-25-16-5-3-2-4-14(16)15(10-17(25)26)18(27)24-12-6-8-13(9-7-12)30(28,29)23-11-19(20,21)22/h2-10,23H,11H2,1H3,(H,24,27).
What are the key properties of 1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide?
1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide has a molecular weight of 439.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 55791000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).