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

C18H16FN3O4S — CID 11406619

IUPAC4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide
SMILESCOc1cc(Nc2c(C(N)=O)cnc3ccc(S(C)(=O)=O)cc23)ccc1F
InChIInChI=1S/C18H16FN3O4S/c1-26-16-7-10(3-5-14(16)19)22-17-12-8-11(27(2,24)25)4-6-15(12)21-9-13(17)18(20)23/h3-9H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyZZBYPKXYJVXBEF-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.63
Rot. Bonds5

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

4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide (PubChem CID 11406619) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is 4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide
PubChem CID11406619
Molecular FormulaC18H16FN3O4S
Molecular Weight389.41 g/mol
Exact Mass389.08
IUPAC Name4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide
SMILESCOc1cc(Nc2c(C(N)=O)cnc3ccc(S(C)(=O)=O)cc23)ccc1F
InChIInChI=1S/C18H16FN3O4S/c1-26-16-7-10(3-5-14(16)19)22-17-12-8-11(27(2,24)25)4-6-15(12)21-9-13(17)18(20)23/h3-9H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyZZBYPKXYJVXBEF-UHFFFAOYSA-N
XLogP2.63
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.63
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-(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
4-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-7-(trifluoromethyl)quinoline-3-carboxamide
CID 10165419

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide?
The IUPAC name of 4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide (CID 11406619) is 4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide is COc1cc(Nc2c(C(N)=O)cnc3ccc(S(C)(=O)=O)cc23)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide?
The InChIKey is ZZBYPKXYJVXBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c1-26-16-7-10(3-5-14(16)19)22-17-12-8-11(27(2,24)25)4-6-15(12)21-9-13(17)18(20)23/h3-9H,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide?
4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methoxyanilino)-6-methylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 11406619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).