5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C19H20FN3O4S — CID 169128527

IUPAC5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc3c(c2F)CCCN3CCc2ccccc2)S(=O)(=O)N1
InChIInChI=1S/C19H20FN3O4S/c20-18-14-7-4-9-22(10-8-13-5-2-1-3-6-13)15(14)11-16(24)19(18)23-12-17(25)21-28(23,26)27/h1-3,5-6,11,24H,4,7-10,12H2,(H,21,25)
InChIKeyCZDFHWYLLBFCND-UHFFFAOYSA-N
MW405.45 g/mol
LogP1.71
Rot. Bonds4

About 5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 169128527) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is 5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID169128527
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC Name5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc3c(c2F)CCCN3CCc2ccccc2)S(=O)(=O)N1
InChIInChI=1S/C19H20FN3O4S/c20-18-14-7-4-9-22(10-8-13-5-2-1-3-6-13)15(14)11-16(24)19(18)23-12-17(25)21-28(23,26)27/h1-3,5-6,11,24H,4,7-10,12H2,(H,21,25)
InChIKeyCZDFHWYLLBFCND-UHFFFAOYSA-N
XLogP1.71
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one with MolForge

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Related Compounds

5-[5-fluoro-7-hydroxy-1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169128546
5-[4-[2-(1,3-dihydroisoindol-2-yl)ethyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169242184
5-[8-fluoro-6-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155103057
5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169242149
5-(1'-fluoro-3'-phenylmethoxyspiro[1,3-dioxole-2,7'-6,8-dihydro-5H-naphthalene]-2'-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169225246
5-[(7R)-7-amino-4-fluoro-2-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 176509509
5-[(7S)-7-amino-4-fluoro-2-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 176509508
5-[2-hydroxy-4-[2-(4-phenoxyphenyl)ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 24970101
5-[(7R)-7-amino-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155103468
5-[(7R)-7-(aminomethyl)-1-fluoro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 162756719
5-[7-[2-(dimethylamino)ethyl]-4-fluoro-2-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169128171
5-[8-fluoro-6-hydroxy-2-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155103164

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 169128527) is 5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2c(O)cc3c(c2F)CCCN3CCc2ccccc2)S(=O)(=O)N1.
What is the InChIKey of 5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is CZDFHWYLLBFCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c20-18-14-7-4-9-22(10-8-13-5-2-1-3-6-13)15(14)11-16(24)19(18)23-12-17(25)21-28(23,26)27/h1-3,5-6,11,24H,4,7-10,12H2,(H,21,25).
What are the key properties of 5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 405.45 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-7-hydroxy-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 169128527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).