4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide

C18H16FN3O3S — CID 11280234

IUPAC4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
SMILESCc1cc(S(C)(=O)=O)cc2c(Nc3cccc(F)c3)c(C(N)=O)cnc12
InChIInChI=1S/C18H16FN3O3S/c1-10-6-13(26(2,24)25)8-14-16(10)21-9-15(18(20)23)17(14)22-12-5-3-4-11(19)7-12/h3-9H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyITHWVQFSAUBOQO-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.93
Rot. Bonds4

About 4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide

4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide (PubChem CID 11280234) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
PubChem CID11280234
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
SMILESCc1cc(S(C)(=O)=O)cc2c(Nc3cccc(F)c3)c(C(N)=O)cnc12
InChIInChI=1S/C18H16FN3O3S/c1-10-6-13(26(2,24)25)8-14-16(10)21-9-15(18(20)23)17(14)22-12-5-3-4-11(19)7-12/h3-9H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyITHWVQFSAUBOQO-UHFFFAOYSA-N
XLogP2.93
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide (CID 11280234) is 4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide is Cc1cc(S(C)(=O)=O)cc2c(Nc3cccc(F)c3)c(C(N)=O)cnc12.
What is the InChIKey of 4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
The InChIKey is ITHWVQFSAUBOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-10-6-13(26(2,24)25)8-14-16(10)21-9-15(18(20)23)17(14)22-12-5-3-4-11(19)7-12/h3-9H,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 11280234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).