N-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide

C20H23FN2O3S — CID 126622098

IUPACN-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide
SMILESCCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(C)cc3)c(F)cc21
InChIInChI=1S/C20H23FN2O3S/c1-4-23-19-11-17(21)18(10-16(19)14(3)9-20(23)24)22-27(25,26)12-15-7-5-13(2)6-8-15/h5-8,10-11,14,22H,4,9,12H2,1-3H3
InChIKeyGJNVUDGEMBYNOC-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.94
Rot. Bonds5

About N-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide

N-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide (PubChem CID 126622098) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide
PubChem CID126622098
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide
SMILESCCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(C)cc3)c(F)cc21
InChIInChI=1S/C20H23FN2O3S/c1-4-23-19-11-17(21)18(10-16(19)14(3)9-20(23)24)22-27(25,26)12-15-7-5-13(2)6-8-15/h5-8,10-11,14,22H,4,9,12H2,1-3H3
InChIKeyGJNVUDGEMBYNOC-UHFFFAOYSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide (CID 126622098) is N-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide is CCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(C)cc3)c(F)cc21.
What is the InChIKey of N-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide?
The InChIKey is GJNVUDGEMBYNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-4-23-19-11-17(21)18(10-16(19)14(3)9-20(23)24)22-27(25,26)12-15-7-5-13(2)6-8-15/h5-8,10-11,14,22H,4,9,12H2,1-3H3.
What are the key properties of N-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide?
N-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide has a molecular weight of 390.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 126622098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).