N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide

C18H15FN2O3S — CID 123856404

IUPACN-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
SMILESCSc1ccc2c(c1)c(O)c(C(=O)Nc1ccccc1F)c(=O)n2C
InChIInChI=1S/C18H15FN2O3S/c1-21-14-8-7-10(25-2)9-11(14)16(22)15(18(21)24)17(23)20-13-6-4-3-5-12(13)19/h3-9,22H,1-2H3,(H,20,23)
InChIKeyIOJLADNLHPMLFH-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.36
Rot. Bonds3

About N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide

N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide (PubChem CID 123856404) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
PubChem CID123856404
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC NameN-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
SMILESCSc1ccc2c(c1)c(O)c(C(=O)Nc1ccccc1F)c(=O)n2C
InChIInChI=1S/C18H15FN2O3S/c1-21-14-8-7-10(25-2)9-11(14)16(22)15(18(21)24)17(23)20-13-6-4-3-5-12(13)19/h3-9,22H,1-2H3,(H,20,23)
InChIKeyIOJLADNLHPMLFH-UHFFFAOYSA-N
XLogP3.36
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54717880
N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
CID 54728929
4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 54676662
N-(2-fluorophenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865243
4-hydroxy-1-methyl-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
CID 54676685
4-hydroxy-N-(2-methoxyethyl)-1-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carbothioamide
CID 139664833
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate
CID 134090481
4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
CID 150676898
4-hydroxy-1-methyl-6-methylsulfanyl-2-oxo-N-phenyl-N-(2-propoxyethyl)quinoline-3-carboxamide
CID 139664827
ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54688157
4-hydroxy-1-methyl-6-methylsulfanyl-2-oxo-N-phenyl-N-(2-phenylmethoxyethyl)quinoline-3-carboxamide
CID 139664822

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide (CID 123856404) is N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide is CSc1ccc2c(c1)c(O)c(C(=O)Nc1ccccc1F)c(=O)n2C.
What is the InChIKey of N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide?
The InChIKey is IOJLADNLHPMLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-21-14-8-7-10(25-2)9-11(14)16(22)15(18(21)24)17(23)20-13-6-4-3-5-12(13)19/h3-9,22H,1-2H3,(H,20,23).
What are the key properties of N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide?
N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 123856404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).