N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide

C22H24FN3O4S — CID 46686362

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(C)nc3cc(F)ccc23)c1
InChIInChI=1S/C22H24FN3O4S/c1-5-26(6-2)31(28,29)16-8-10-21(30-4)20(13-16)25-22(27)18-11-14(3)24-19-12-15(23)7-9-17(18)19/h7-13H,5-6H2,1-4H3,(H,25,27)
InChIKeyPFSYNNUEXBLRIQ-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.97
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 46686362) has the molecular formula C22H24FN3O4S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
PubChem CID46686362
Molecular FormulaC22H24FN3O4S
Molecular Weight445.52 g/mol
Exact Mass445.15
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(C)nc3cc(F)ccc23)c1
InChIInChI=1S/C22H24FN3O4S/c1-5-26(6-2)31(28,29)16-8-10-21(30-4)20(13-16)25-22(27)18-11-14(3)24-19-12-15(23)7-9-17(18)19/h7-13H,5-6H2,1-4H3,(H,25,27)
InChIKeyPFSYNNUEXBLRIQ-UHFFFAOYSA-N
XLogP3.97
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide (CID 46686362) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(C)nc3cc(F)ccc23)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is PFSYNNUEXBLRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4S/c1-5-26(6-2)31(28,29)16-8-10-21(30-4)20(13-16)25-22(27)18-11-14(3)24-19-12-15(23)7-9-17(18)19/h7-13H,5-6H2,1-4H3,(H,25,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 46686362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).