N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C17H16N2O2S — CID 46696236

IUPACN-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCSc1ccccc1NC(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H16N2O2S/c1-22-15-9-5-4-8-14(15)19-17(21)12-10-16(20)18-13-7-3-2-6-11(12)13/h2-9,12H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyHZFHBSCVBVEHOR-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.47
Rot. Bonds3

About N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 46696236) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID46696236
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCSc1ccccc1NC(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H16N2O2S/c1-22-15-9-5-4-8-14(15)19-17(21)12-10-16(20)18-13-7-3-2-6-11(12)13/h2-9,12H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyHZFHBSCVBVEHOR-UHFFFAOYSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134000047
2-oxo-N-(2-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110702917
N-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide
CID 45497074
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
N-(2,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42930651
2-oxo-N-[2-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46696496
(4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95133953
(4S)-2-oxo-N-(2-thiophen-2-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 92815911
(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802
N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 4616929

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 46696236) is N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CSc1ccccc1NC(=O)C1CC(=O)Nc2ccccc21.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is HZFHBSCVBVEHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-22-15-9-5-4-8-14(15)19-17(21)12-10-16(20)18-13-7-3-2-6-11(12)13/h2-9,12H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 46696236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).