N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C17H14F2N2O2S — CID 134000047

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2SC(F)F)c2ccccc2N1
InChIInChI=1S/C17H14F2N2O2S/c18-17(19)24-14-8-4-3-7-13(14)21-16(23)11-9-15(22)20-12-6-2-1-5-10(11)12/h1-8,11,17H,9H2,(H,20,22)(H,21,23)
InChIKeyRZNNFJSEXVDPSH-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.07
Rot. Bonds4

About N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 134000047) has the molecular formula C17H14F2N2O2S and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID134000047
Molecular FormulaC17H14F2N2O2S
Molecular Weight348.37 g/mol
Exact Mass348.07
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2SC(F)F)c2ccccc2N1
InChIInChI=1S/C17H14F2N2O2S/c18-17(19)24-14-8-4-3-7-13(14)21-16(23)11-9-15(22)20-12-6-2-1-5-10(11)12/h1-8,11,17H,9H2,(H,20,22)(H,21,23)
InChIKeyRZNNFJSEXVDPSH-UHFFFAOYSA-N
XLogP4.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-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

N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46696236
2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702917
7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
2-oxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46696496
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
(4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 92815911
N-(2,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42930651
(4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95133953
(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917
N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729117
N-[2-(difluoromethylsulfanyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107433437
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 134000047) is N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)Nc2ccccc2SC(F)F)c2ccccc2N1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is RZNNFJSEXVDPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2S/c18-17(19)24-14-8-4-3-7-13(14)21-16(23)11-9-15(22)20-12-6-2-1-5-10(11)12/h1-8,11,17H,9H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 134000047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).