4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide

C23H18FN3O3S — CID 11328012

IUPAC4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccc(F)cc4)c(C(N)=O)cnc3c2)cc1
InChIInChI=1S/C23H18FN3O3S/c1-31(29,30)18-9-2-14(3-10-18)15-4-11-19-21(12-15)26-13-20(23(25)28)22(19)27-17-7-5-16(24)6-8-17/h2-13H,1H3,(H2,25,28)(H,26,27)
InChIKeyRTWBLNOSOIEHFD-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.29
Rot. Bonds5

About 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide

4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide (PubChem CID 11328012) has the molecular formula C23H18FN3O3S and a molecular weight of 435.48 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide
PubChem CID11328012
Molecular FormulaC23H18FN3O3S
Molecular Weight435.48 g/mol
Exact Mass435.11
IUPAC Name4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccc(F)cc4)c(C(N)=O)cnc3c2)cc1
InChIInChI=1S/C23H18FN3O3S/c1-31(29,30)18-9-2-14(3-10-18)15-4-11-19-21(12-15)26-13-20(23(25)28)22(19)27-17-7-5-16(24)6-8-17/h2-13H,1H3,(H2,25,28)(H,26,27)
InChIKeyRTWBLNOSOIEHFD-UHFFFAOYSA-N
XLogP4.29
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-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-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide?
The IUPAC name of 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide (CID 11328012) is 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide is CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccc(F)cc4)c(C(N)=O)cnc3c2)cc1.
What is the InChIKey of 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide?
The InChIKey is RTWBLNOSOIEHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3S/c1-31(29,30)18-9-2-14(3-10-18)15-4-11-19-21(12-15)26-13-20(23(25)28)22(19)27-17-7-5-16(24)6-8-17/h2-13H,1H3,(H2,25,28)(H,26,27).
What are the key properties of 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide?
4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 11328012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).