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

C20H20FN5O6S — CID 146314037

IUPACN-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide
SMILESCNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(C(=O)NS(=O)(=O)N(C)C)cc3)c(=O)[nH]c12
InChIInChI=1S/C20H20FN5O6S/c1-22-14-9-11(21)8-13-16(14)24-20(30)15(17(13)27)19(29)23-12-6-4-10(5-7-12)18(28)25-33(31,32)26(2)3/h4-9,22H,1-3H3,(H,23,29)(H,25,28)(H2,24,27,30)
InChIKeyLKBSRDKXQBJKNA-UHFFFAOYSA-N
MW477.47 g/mol
LogP1.20
Rot. Bonds6

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

N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 146314037) has the molecular formula C20H20FN5O6S and a molecular weight of 477.47 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID146314037
Molecular FormulaC20H20FN5O6S
Molecular Weight477.47 g/mol
Exact Mass477.11
IUPAC NameN-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide
SMILESCNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(C(=O)NS(=O)(=O)N(C)C)cc3)c(=O)[nH]c12
InChIInChI=1S/C20H20FN5O6S/c1-22-14-9-11(21)8-13-16(14)24-20(30)15(17(13)27)19(29)23-12-6-4-10(5-7-12)18(28)25-33(31,32)26(2)3/h4-9,22H,1-3H3,(H,23,29)(H,25,28)(H2,24,27,30)
InChIKeyLKBSRDKXQBJKNA-UHFFFAOYSA-N
XLogP1.20
TPSA160.70 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 51.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide (CID 146314037) is N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide is CNc1cc(F)cc2c(O)c(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-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is LKBSRDKXQBJKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O6S/c1-22-14-9-11(21)8-13-16(14)24-20(30)15(17(13)27)19(29)23-12-6-4-10(5-7-12)18(28)25-33(31,32)26(2)3/h4-9,22H,1-3H3,(H,23,29)(H,25,28)(H2,24,27,30).
What are the key properties of N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide?
N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 477.47 g/mol, XLogP of 1.20, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoylcarbamoyl)phenyl]-6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 146314037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).