N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide

C19H21FN2O3S — CID 138673308

IUPACN-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccccc3F)ccc21
InChIInChI=1S/C19H21FN2O3S/c1-2-22-18-9-7-14(11-15(18)8-10-19(22)23)12-21-26(24,25)13-16-5-3-4-6-17(16)20/h3-7,9,11,21H,2,8,10,12-13H2,1H3
InChIKeyLZZKJPKXQSHAPC-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.74
Rot. Bonds6

About N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide

N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 138673308) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide
PubChem CID138673308
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccccc3F)ccc21
InChIInChI=1S/C19H21FN2O3S/c1-2-22-18-9-7-14(11-15(18)8-10-19(22)23)12-21-26(24,25)13-16-5-3-4-6-17(16)20/h3-7,9,11,21H,2,8,10,12-13H2,1H3
InChIKeyLZZKJPKXQSHAPC-UHFFFAOYSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide (CID 138673308) is N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide is CCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccccc3F)ccc21.
What is the InChIKey of N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is LZZKJPKXQSHAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-2-22-18-9-7-14(11-15(18)8-10-19(22)23)12-21-26(24,25)13-16-5-3-4-6-17(16)20/h3-7,9,11,21H,2,8,10,12-13H2,1H3.
What are the key properties of N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide?
N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 376.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 138673308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).