ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate

C14H14N2O6S — CID 134098178

IUPACethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(S(=O)(=O)NC(C)=O)cc2c1=O
InChIInChI=1S/C14H14N2O6S/c1-3-22-14(19)11-7-15-12-5-4-9(6-10(12)13(11)18)23(20,21)16-8(2)17/h4-7H,3H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQWOUAALKLVESMK-UHFFFAOYSA-N
MW338.34 g/mol
LogP0.53
Rot. Bonds4

About ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate

ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 134098178) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
PubChem CID134098178
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Nameethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(S(=O)(=O)NC(C)=O)cc2c1=O
InChIInChI=1S/C14H14N2O6S/c1-3-22-14(19)11-7-15-12-5-4-9(6-10(12)13(11)18)23(20,21)16-8(2)17/h4-7H,3H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQWOUAALKLVESMK-UHFFFAOYSA-N
XLogP0.53
TPSA122.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-methylsulfonyl-4-oxo-1H-quinoline-3-carboxylate
CID 142164950
ethyl 4-oxo-6-(trifluoromethylamino)-1H-quinoline-3-carboxylate
CID 162518104
ethyl 6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 118578466
ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39850158
ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
6-[(3,5-dimethylphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide
CID 3245541
ethyl 6-[1,2-dihydroxy-4-(methylamino)butyl]-4-oxo-1H-quinoline-3-carboxylate
CID 171891262
ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39849933
methyl 5-ethylsulfonyl-1H-indole-3-carboxylate
CID 83984813
6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3679674
6-[[3-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-3-oxopropyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 24789764
N-(4-ethylphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide
CID 6622035

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate (CID 134098178) is ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2ccc(S(=O)(=O)NC(C)=O)cc2c1=O.
What is the InChIKey of ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is QWOUAALKLVESMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c1-3-22-14(19)11-7-15-12-5-4-9(6-10(12)13(11)18)23(20,21)16-8(2)17/h4-7H,3H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate?
ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 338.34 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 134098178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).