5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C18H17FN4O6S2 — CID 165122577

IUPAC5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc3ccc(C4=CCN(S(=O)(=O)C5CC5)C4)nc3c2F)S(=O)(=O)N1
InChIInChI=1S/C18H17FN4O6S2/c19-16-17-10(7-14(24)18(16)23-9-15(25)21-31(23,28)29)1-4-13(20-17)11-5-6-22(8-11)30(26,27)12-2-3-12/h1,4-5,7,12,24H,2-3,6,8-9H2,(H,21,25)
InChIKeyIYTSLYROMXQPGP-UHFFFAOYSA-N
MW468.49 g/mol
LogP0.45
Rot. Bonds4

About 5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 165122577) has the molecular formula C18H17FN4O6S2 and a molecular weight of 468.49 g/mol. Its IUPAC name is 5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID165122577
Molecular FormulaC18H17FN4O6S2
Molecular Weight468.49 g/mol
Exact Mass468.06
IUPAC Name5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc3ccc(C4=CCN(S(=O)(=O)C5CC5)C4)nc3c2F)S(=O)(=O)N1
InChIInChI=1S/C18H17FN4O6S2/c19-16-17-10(7-14(24)18(16)23-9-15(25)21-31(23,28)29)1-4-13(20-17)11-5-6-22(8-11)30(26,27)12-2-3-12/h1,4-5,7,12,24H,2-3,6,8-9H2,(H,21,25)
InChIKeyIYTSLYROMXQPGP-UHFFFAOYSA-N
XLogP0.45
TPSA136.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 165122718
5-[7-[1-(1,3-dimethylpyrazol-4-yl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-fluoro-3-hydroxynaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155485098
5-[2-(2,2-difluoroethoxy)-8-fluoro-6-hydroxyquinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 171087977
5-[7-[1-(3-azidopropylsulfonyl)-2,5-dihydropyrrol-3-yl]-1-fluoro-3-hydroxynaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 156506444
5-[2-(dimethylamino)-8-fluoro-6-hydroxyquinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 171087929
5-[2-(ethylamino)-8-fluoro-6-hydroxyquinazolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 171087980
N-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide
CID 168900521
5-[1-fluoro-3-hydroxy-7-(2-hydroxypropoxy)naphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 155485028
5-(9-fluoro-7-hydroxybenzo[e][1]benzofuran-8-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 146992669
N-[2-fluoro-4-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]phenyl]cyclopropanesulfonamide
CID 168900484
5-[3-(1-cyclopentylimidazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 168900729
5-[7-[3-(dimethylamino)propyl]-1-fluoro-3-hydroxynaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 158752745

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 165122577) is 5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2c(O)cc3ccc(C4=CCN(S(=O)(=O)C5CC5)C4)nc3c2F)S(=O)(=O)N1.
What is the InChIKey of 5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is IYTSLYROMXQPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O6S2/c19-16-17-10(7-14(24)18(16)23-9-15(25)21-31(23,28)29)1-4-13(20-17)11-5-6-22(8-11)30(26,27)12-2-3-12/h1,4-5,7,12,24H,2-3,6,8-9H2,(H,21,25).
What are the key properties of 5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 468.49 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-cyclopropylsulfonyl-2,5-dihydropyrrol-3-yl)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 165122577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).