6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide

C24H29N3O6S — CID 3244984

IUPAC6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2c1
InChIInChI=1S/C24H29N3O6S/c1-5-27(6-2)34(30,31)17-8-9-20-18(14-17)23(28)19(15-26-20)24(29)25-12-11-16-7-10-21(32-3)22(13-16)33-4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyWAWXWUBTSKDQNA-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.55
Rot. Bonds10

About 6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide

6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3244984) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is 6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3244984
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Name6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2c1
InChIInChI=1S/C24H29N3O6S/c1-5-27(6-2)34(30,31)17-8-9-20-18(14-17)23(28)19(15-26-20)24(29)25-12-11-16-7-10-21(32-3)22(13-16)33-4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyWAWXWUBTSKDQNA-UHFFFAOYSA-N
XLogP2.55
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 3244984) is 6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2c1.
What is the InChIKey of 6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is WAWXWUBTSKDQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-5-27(6-2)34(30,31)17-8-9-20-18(14-17)23(28)19(15-26-20)24(29)25-12-11-16-7-10-21(32-3)22(13-16)33-4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of 6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 2.55, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3244984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).