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

C15H20FN3O4S — CID 169128546

IUPAC5-[5-fluoro-7-hydroxy-1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCC(C)CN1CCCc2c1cc(O)c(N1CC(=O)NS1(=O)=O)c2F
InChIInChI=1S/C15H20FN3O4S/c1-9(2)7-18-5-3-4-10-11(18)6-12(20)15(14(10)16)19-8-13(21)17-24(19,22)23/h6,9,20H,3-5,7-8H2,1-2H3,(H,17,21)
InChIKeyODMADUOAMXJHRB-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.12
Rot. Bonds3

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

5-[5-fluoro-7-hydroxy-1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 169128546) has the molecular formula C15H20FN3O4S and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[5-fluoro-7-hydroxy-1-(2-methylpropyl)-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-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID169128546
Molecular FormulaC15H20FN3O4S
Molecular Weight357.41 g/mol
Exact Mass357.12
IUPAC Name5-[5-fluoro-7-hydroxy-1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCC(C)CN1CCCc2c1cc(O)c(N1CC(=O)NS1(=O)=O)c2F
InChIInChI=1S/C15H20FN3O4S/c1-9(2)7-18-5-3-4-10-11(18)6-12(20)15(14(10)16)19-8-13(21)17-24(19,22)23/h6,9,20H,3-5,7-8H2,1-2H3,(H,17,21)
InChIKeyODMADUOAMXJHRB-UHFFFAOYSA-N
XLogP1.12
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[5-fluoro-7-hydroxy-1-(2-methylpropyl)-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-phenylethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169128527
5-(8-fluoro-6-hydroxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155346481
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-[(3S)-5-fluoro-7-hydroxy-3-(propan-2-ylamino)-3,4-dihydro-2H-thiochromen-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 168884284
5-[2-[(2R)-2-amino-4-cyclohexylbutanoyl]-8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155103304
5-[(2R)-4-fluoro-6-hydroxy-2-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-indol-5-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 168884453
azanium N-tert-butyl-N-[[4-fluoro-6-hydroxy-5-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-2,3-dihydro-1H-inden-2-yl]methyl]carbamate
CID 169324281
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-[(7R)-7-(dimethylamino)-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 176509519
5-[(7S)-7-(ethylamino)-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 176509520
5-[(7R)-1-fluoro-3-hydroxy-7-(3-methylpentylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155103153
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

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-7-hydroxy-1-(2-methylpropyl)-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-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 169128546) is 5-[5-fluoro-7-hydroxy-1-(2-methylpropyl)-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-methylpropyl)-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-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is CC(C)CN1CCCc2c1cc(O)c(N1CC(=O)NS1(=O)=O)c2F.
What is the InChIKey of 5-[5-fluoro-7-hydroxy-1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is ODMADUOAMXJHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4S/c1-9(2)7-18-5-3-4-10-11(18)6-12(20)15(14(10)16)19-8-13(21)17-24(19,22)23/h6,9,20H,3-5,7-8H2,1-2H3,(H,17,21).
What are the key properties of 5-[5-fluoro-7-hydroxy-1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[5-fluoro-7-hydroxy-1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 357.41 g/mol, XLogP of 1.12, 3 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-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 169128546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).