[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

C20H20N2O6S — CID 42922466

IUPAC[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCC(OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H20N2O6S/c1-12(19(24)13-3-7-16(8-4-13)22-29(2,26)27)28-20(25)15-5-9-17-14(11-15)6-10-18(23)21-17/h3-5,7-9,11-12,22H,6,10H2,1-2H3,(H,21,23)
InChIKeyLEJAGWFRQAEENC-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.37
Rot. Bonds6

About [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 42922466) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
PubChem CID42922466
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCC(OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H20N2O6S/c1-12(19(24)13-3-7-16(8-4-13)22-29(2,26)27)28-20(25)15-5-9-17-14(11-15)6-10-18(23)21-17/h3-5,7-9,11-12,22H,6,10H2,1-2H3,(H,21,23)
InChIKeyLEJAGWFRQAEENC-UHFFFAOYSA-N
XLogP2.37
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate with MolForge

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Related Compounds

[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 18171371
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate
CID 55528394
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 18171311
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-chloropyridine-4-carboxylate
CID 46666462
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46646312
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101183
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8582611
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101172
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-propoxybenzoate
CID 42915712
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 55393236
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586418

Frequently Asked Questions

What is the IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (CID 42922466) is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is CC(OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is LEJAGWFRQAEENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S/c1-12(19(24)13-3-7-16(8-4-13)22-29(2,26)27)28-20(25)15-5-9-17-14(11-15)6-10-18(23)21-17/h3-5,7-9,11-12,22H,6,10H2,1-2H3,(H,21,23).
What are the key properties of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 416.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 42922466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).