N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide

C20H20FN5O5S — CID 146313952

IUPACN-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide
SMILESCNc1cc(F)cc2cc(C(=O)Nc3ccc(C(=O)NS(=O)(=O)N(C)C)cc3)c(=O)[nH]c12
InChIInChI=1S/C20H20FN5O5S/c1-22-16-10-13(21)8-12-9-15(20(29)24-17(12)16)19(28)23-14-6-4-11(5-7-14)18(27)25-32(30,31)26(2)3/h4-10,22H,1-3H3,(H,23,28)(H,24,29)(H,25,27)
InChIKeyLATAAOVJXDTATP-UHFFFAOYSA-N
MW461.48 g/mol
LogP1.50
Rot. Bonds6

About N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide

N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 146313952) has the molecular formula C20H20FN5O5S and a molecular weight of 461.48 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID146313952
Molecular FormulaC20H20FN5O5S
Molecular Weight461.48 g/mol
Exact Mass461.12
IUPAC NameN-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide
SMILESCNc1cc(F)cc2cc(C(=O)Nc3ccc(C(=O)NS(=O)(=O)N(C)C)cc3)c(=O)[nH]c12
InChIInChI=1S/C20H20FN5O5S/c1-22-16-10-13(21)8-12-9-15(20(29)24-17(12)16)19(28)23-14-6-4-11(5-7-14)18(27)25-32(30,31)26(2)3/h4-10,22H,1-3H3,(H,23,28)(H,24,29)(H,25,27)
InChIKeyLATAAOVJXDTATP-UHFFFAOYSA-N
XLogP1.50
TPSA140.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide (CID 146313952) is N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide is CNc1cc(F)cc2cc(C(=O)Nc3ccc(C(=O)NS(=O)(=O)N(C)C)cc3)c(=O)[nH]c12.
What is the InChIKey of N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is LATAAOVJXDTATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O5S/c1-22-16-10-13(21)8-12-9-15(20(29)24-17(12)16)19(28)23-14-6-4-11(5-7-14)18(27)25-32(30,31)26(2)3/h4-10,22H,1-3H3,(H,23,28)(H,24,29)(H,25,27).
What are the key properties of N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide?
N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 461.48 g/mol, XLogP of 1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 146313952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).