8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide

C20H20FN3O4S — CID 11258592

IUPAC8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide
SMILESCCc1cc(S(C)(=O)=O)cc2c(Nc3ccc(F)c(OC)c3)c(C(N)=O)cnc12
InChIInChI=1S/C20H20FN3O4S/c1-4-11-7-13(29(3,26)27)9-14-18(11)23-10-15(20(22)25)19(14)24-12-5-6-16(21)17(8-12)28-2/h5-10H,4H2,1-3H3,(H2,22,25)(H,23,24)
InChIKeyXYAROEAMFMJRHN-UHFFFAOYSA-N
MW417.46 g/mol
LogP3.19
Rot. Bonds6

About 8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide

8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide (PubChem CID 11258592) has the molecular formula C20H20FN3O4S and a molecular weight of 417.46 g/mol. Its IUPAC name is 8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide
PubChem CID11258592
Molecular FormulaC20H20FN3O4S
Molecular Weight417.46 g/mol
Exact Mass417.12
IUPAC Name8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide
SMILESCCc1cc(S(C)(=O)=O)cc2c(Nc3ccc(F)c(OC)c3)c(C(N)=O)cnc12
InChIInChI=1S/C20H20FN3O4S/c1-4-11-7-13(29(3,26)27)9-14-18(11)23-10-15(20(22)25)19(14)24-12-5-6-16(21)17(8-12)28-2/h5-10H,4H2,1-3H3,(H2,22,25)(H,23,24)
InChIKeyXYAROEAMFMJRHN-UHFFFAOYSA-N
XLogP3.19
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Gsk-256066
CID 9827968
4-[(3-Methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide
CID 11280182
4-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-8-(trifluoromethyl)quinoline-3-carboxamide
CID 10119294
4-(3-Methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
6-(Benzenesulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 11293791
6-(Dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 11304132
4-(4-Fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11350199
4-(3-Methoxyanilino)-6-(4-methoxyphenyl)sulfonylquinoline-3-carboxamide
CID 11397103
6-[3-(Dimethylcarbamoyl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 45485435
N-(2,5-dimethoxyphenyl)-2-[(8-quinolinylsulfonyl)amino]benzamide
CID 1295005
6-(4-Tert-butylphenyl)sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 45485433
6,7-dimethoxy-N-methyl-4-[2-(2-methylsulfonylethyl)anilino]quinoline-3-carboxamide
CID 162643804

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide?
The IUPAC name of 8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide (CID 11258592) is 8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide is CCc1cc(S(C)(=O)=O)cc2c(Nc3ccc(F)c(OC)c3)c(C(N)=O)cnc12.
What is the InChIKey of 8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide?
The InChIKey is XYAROEAMFMJRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4S/c1-4-11-7-13(29(3,26)27)9-14-18(11)23-10-15(20(22)25)19(14)24-12-5-6-16(21)17(8-12)28-2/h5-10H,4H2,1-3H3,(H2,22,25)(H,23,24).
What are the key properties of 8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide?
8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide has a molecular weight of 417.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 11258592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).