2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide

C23H18FN3O5S — CID 78319529

IUPAC2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C23H18FN3O5S/c1-31-21-12-15(24)9-10-20(21)32-23-18(11-14-5-2-3-8-19(14)27-23)22(28)26-16-6-4-7-17(13-16)33(25,29)30/h2-13H,1H3,(H,26,28)(H2,25,29,30)
InChIKeyMPZBRNMRMFFRER-UHFFFAOYSA-N
MW467.48 g/mol
LogP4.07
Rot. Bonds6

About 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide

2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide (PubChem CID 78319529) has the molecular formula C23H18FN3O5S and a molecular weight of 467.48 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
PubChem CID78319529
Molecular FormulaC23H18FN3O5S
Molecular Weight467.48 g/mol
Exact Mass467.10
IUPAC Name2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide
SMILESCOc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C23H18FN3O5S/c1-31-21-12-15(24)9-10-20(21)32-23-18(11-14-5-2-3-8-19(14)27-23)22(28)26-16-6-4-7-17(13-16)33(25,29)30/h2-13H,1H3,(H,26,28)(H2,25,29,30)
InChIKeyMPZBRNMRMFFRER-UHFFFAOYSA-N
XLogP4.07
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)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 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide (CID 78319529) is 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide is COc1cc(F)ccc1Oc1nc2ccccc2cc1C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
The InChIKey is MPZBRNMRMFFRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O5S/c1-31-21-12-15(24)9-10-20(21)32-23-18(11-14-5-2-3-8-19(14)27-23)22(28)26-16-6-4-7-17(13-16)33(25,29)30/h2-13H,1H3,(H,26,28)(H2,25,29,30).
What are the key properties of 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide?
2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxyphenoxy)-N-(3-sulfamoylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 78319529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).