4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide

C24H20FN3O4S — CID 11271250

IUPAC4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2cc(C)c3ncc(C(N)=O)c(Nc4cccc(F)c4)c3c2)cc1
InChIInChI=1S/C24H20FN3O4S/c1-14-10-19(33(30,31)18-8-6-17(32-2)7-9-18)12-20-22(14)27-13-21(24(26)29)23(20)28-16-5-3-4-15(25)11-16/h3-13H,1-2H3,(H2,26,29)(H,27,28)
InChIKeyBATDHHJVHLEBLG-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.37
Rot. Bonds6

About 4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide

4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide (PubChem CID 11271250) has the molecular formula C24H20FN3O4S and a molecular weight of 465.51 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
PubChem CID11271250
Molecular FormulaC24H20FN3O4S
Molecular Weight465.51 g/mol
Exact Mass465.12
IUPAC Name4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2cc(C)c3ncc(C(N)=O)c(Nc4cccc(F)c4)c3c2)cc1
InChIInChI=1S/C24H20FN3O4S/c1-14-10-19(33(30,31)18-8-6-17(32-2)7-9-18)12-20-22(14)27-13-21(24(26)29)23(20)28-16-5-3-4-15(25)11-16/h3-13H,1-2H3,(H2,26,29)(H,27,28)
InChIKeyBATDHHJVHLEBLG-UHFFFAOYSA-N
XLogP4.37
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
4-(3-methoxyanilino)-8-methyl-6-[3-(methylcarbamoyl)phenyl]sulfonylquinoline-3-carboxamide
CID 91970465
6-[4-[4-(5-hydroxypentyl)phenyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 66988945
6-[3-(dimethylcarbamoyl)phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 71576691
6-(2-acetamidoethylsulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 11363067
4-(3-methoxyanilino)-8-methyl-6-[3-(piperazine-1-carbonyl)phenyl]sulfonylquinoline-3-carboxamide
CID 66988311
4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11350199
4-(3-methoxyanilino)-8-methyl-6-piperidin-4-ylsulfonylquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 162320050
6-[3-[[3-(3-hydroxypropyl)phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 70668221
2-[4-[[3-[3-carbamoyl-4-(3-methoxyanilino)-8-methylquinolin-6-yl]sulfonylbenzoyl]amino]phenyl]ethylcarbamic acid
CID 66988320
4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 66973980
4-(3-methoxyanilino)-8-methyl-6-[3-[4-(6-oxohexyl)piperazine-1-carbonyl]phenyl]sulfonylquinoline-3-carboxamide
CID 86659096

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide (CID 11271250) is 4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide is COc1ccc(S(=O)(=O)c2cc(C)c3ncc(C(N)=O)c(Nc4cccc(F)c4)c3c2)cc1.
What is the InChIKey of 4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide?
The InChIKey is BATDHHJVHLEBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4S/c1-14-10-19(33(30,31)18-8-6-17(32-2)7-9-18)12-20-22(14)27-13-21(24(26)29)23(20)28-16-5-3-4-15(25)11-16/h3-13H,1-2H3,(H2,26,29)(H,27,28).
What are the key properties of 4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide?
4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide is sourced from PubChem (CID 11271250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).