N-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide

C24H20F3N3O2S — CID 6479588

IUPACN-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCN(C)c1ccc2nc(/C=C/c3cccc4cc(NS(=O)(=O)C(F)(F)F)ccc34)ccc2c1
InChIInChI=1S/C24H20F3N3O2S/c1-30(2)21-11-13-23-18(15-21)7-9-19(28-23)8-6-16-4-3-5-17-14-20(10-12-22(16)17)29-33(31,32)24(25,26)27/h3-15,29H,1-2H3/b8-6+
InChIKeyKBCFJRMIJSNCAY-SOFGYWHQSA-N
MW471.50 g/mol
LogP5.89
Rot. Bonds5

About N-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide

N-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 6479588) has the molecular formula C24H20F3N3O2S and a molecular weight of 471.50 g/mol. Its IUPAC name is N-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID6479588
Molecular FormulaC24H20F3N3O2S
Molecular Weight471.50 g/mol
Exact Mass471.12
IUPAC NameN-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCN(C)c1ccc2nc(/C=C/c3cccc4cc(NS(=O)(=O)C(F)(F)F)ccc34)ccc2c1
InChIInChI=1S/C24H20F3N3O2S/c1-30(2)21-11-13-23-18(15-21)7-9-19(28-23)8-6-16-4-3-5-17-14-20(10-12-22(16)17)29-33(31,32)24(25,26)27/h3-15,29H,1-2H3/b8-6+
InChIKeyKBCFJRMIJSNCAY-SOFGYWHQSA-N
XLogP5.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.50
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide (CID 6479588) is N-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide is CN(C)c1ccc2nc(/C=C/c3cccc4cc(NS(=O)(=O)C(F)(F)F)ccc34)ccc2c1.
What is the InChIKey of N-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is KBCFJRMIJSNCAY-SOFGYWHQSA-N. The full InChI is InChI=1S/C24H20F3N3O2S/c1-30(2)21-11-13-23-18(15-21)7-9-19(28-23)8-6-16-4-3-5-17-14-20(10-12-22(16)17)29-33(31,32)24(25,26)27/h3-15,29H,1-2H3/b8-6+.
What are the key properties of N-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide?
N-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 471.50 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 6479588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).