6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide

C25H24N4O5S — CID 3413662

IUPAC6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
SMILESCCOc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3cccnc3)c(=O)c2c1
InChIInChI=1S/C25H24N4O5S/c1-3-34-23-9-5-4-8-22(23)29(2)35(32,33)18-10-11-21-19(13-18)24(30)20(16-27-21)25(31)28-15-17-7-6-12-26-14-17/h4-14,16H,3,15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyCMMCJSMUYIWZNZ-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.08
Rot. Bonds8

About 6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide

6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide (PubChem CID 3413662) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is 6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
PubChem CID3413662
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC Name6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide
SMILESCCOc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3cccnc3)c(=O)c2c1
InChIInChI=1S/C25H24N4O5S/c1-3-34-23-9-5-4-8-22(23)29(2)35(32,33)18-10-11-21-19(13-18)24(30)20(16-27-21)25(31)28-15-17-7-6-12-26-14-17/h4-14,16H,3,15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyCMMCJSMUYIWZNZ-UHFFFAOYSA-N
XLogP3.08
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141331217
N-[(3-bromophenyl)methyl]-6-(diethylsulfamoyl)-4-oxo-1H-quinoline-3-carboxamide
CID 141331207
N-(2-ethoxyphenyl)-N-methyl-8-oxo-7-(3-pyridin-3-ylpropanoyl)-5H-naphthalene-2-sulfonamide
CID 159513296
6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 4654060
6-[(4-ethylphenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3435383
6-ethoxy-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473047
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 41446698
6-[methyl-(2-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
CID 4121031
N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
CID 123424448
N-butyl-6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 126479543
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide
CID 5216666

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide (CID 3413662) is 6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide is CCOc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3cccnc3)c(=O)c2c1.
What is the InChIKey of 6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide?
The InChIKey is CMMCJSMUYIWZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-3-34-23-9-5-4-8-22(23)29(2)35(32,33)18-10-11-21-19(13-18)24(30)20(16-27-21)25(31)28-15-17-7-6-12-26-14-17/h4-14,16H,3,15H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide?
6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-N-(pyridin-3-ylmethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3413662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).