N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide

C23H24FN3O5S — CID 55452724

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C23H24FN3O5S/c1-15(16-3-5-17(24)6-4-16)26(2)23(29)20-14-22(28)25-21-8-7-18(13-19(20)21)33(30,31)27-9-11-32-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,25,28)
InChIKeyFUYAFNGUYYUNOW-UHFFFAOYSA-N
MW473.53 g/mol
LogP2.52
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide

N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 55452724) has the molecular formula C23H24FN3O5S and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID55452724
Molecular FormulaC23H24FN3O5S
Molecular Weight473.53 g/mol
Exact Mass473.14
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C23H24FN3O5S/c1-15(16-3-5-17(24)6-4-16)26(2)23(29)20-14-22(28)25-21-8-7-18(13-19(20)21)33(30,31)27-9-11-32-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,25,28)
InChIKeyFUYAFNGUYYUNOW-UHFFFAOYSA-N
XLogP2.52
TPSA99.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
CID 55335721
N-(2-methylsulfanylphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55329602
N-[4-(dimethylamino)-3-methylphenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55672285
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55340988
4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-morpholin-4-ylsulfonyl-1H-quinolin-2-one
CID 55676078
N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 15994227
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55613097
6-morpholin-4-ylsulfonyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 4651455
6-(azepan-1-ylsulfonyl)-N-(3-methylbutyl)-2-oxo-1H-quinoline-4-carboxamide
CID 22427069
N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55363513
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55671311

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide (CID 55452724) is N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide is CC(c1ccc(F)cc1)N(C)C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is FUYAFNGUYYUNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O5S/c1-15(16-3-5-17(24)6-4-16)26(2)23(29)20-14-22(28)25-21-8-7-18(13-19(20)21)33(30,31)27-9-11-32-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methyl-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55452724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).