N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide

C21H22ClN3O5S — CID 26095086

IUPACN-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3cc(Cl)ccc3OC)c2c1
InChIInChI=1S/C21H22ClN3O5S/c1-4-25(5-2)31(28,29)14-7-8-17-15(11-14)16(12-20(26)23-17)21(27)24-18-10-13(22)6-9-19(18)30-3/h6-12H,4-5H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyHDADVGMZQQMWON-UHFFFAOYSA-N
MW463.94 g/mol
LogP3.47
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 26095086) has the molecular formula C21H22ClN3O5S and a molecular weight of 463.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID26095086
Molecular FormulaC21H22ClN3O5S
Molecular Weight463.94 g/mol
Exact Mass463.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3cc(Cl)ccc3OC)c2c1
InChIInChI=1S/C21H22ClN3O5S/c1-4-25(5-2)31(28,29)14-7-8-17-15(11-14)16(12-20(26)23-17)21(27)24-18-10-13(22)6-9-19(18)30-3/h6-12H,4-5H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyHDADVGMZQQMWON-UHFFFAOYSA-N
XLogP3.47
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 55343210
6-(diethylsulfamoyl)-N-[3-(methoxymethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 32638443
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55786394
N-(cyclopentylmethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 39211941
N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257773
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
6-(diethylsulfamoyl)-N-[2-(methylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 120829777
2-(2,5-dichloroanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24510593
N-cyclohexyl-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7872467
N-(5-chloro-2-methoxyphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16548528
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 27245718
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide (CID 26095086) is N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3cc(Cl)ccc3OC)c2c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is HDADVGMZQQMWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O5S/c1-4-25(5-2)31(28,29)14-7-8-17-15(11-14)16(12-20(26)23-17)21(27)24-18-10-13(22)6-9-19(18)30-3/h6-12H,4-5H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 463.94 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 26095086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).