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

C14H13FN4O4S — CID 165122538

IUPAC5-[2-(cyclopropylamino)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc3ccc(NC4CC4)nc3c2F)S(=O)(=O)N1
InChIInChI=1S/C14H13FN4O4S/c15-12-13-7(1-4-10(17-13)16-8-2-3-8)5-9(20)14(12)19-6-11(21)18-24(19,22)23/h1,4-5,8,20H,2-3,6H2,(H,16,17)(H,18,21)
InChIKeyAMPODQIELZSPOF-UHFFFAOYSA-N
MW352.35 g/mol
LogP0.83
Rot. Bonds3

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

5-[2-(cyclopropylamino)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 165122538) has the molecular formula C14H13FN4O4S and a molecular weight of 352.35 g/mol. Its IUPAC name is 5-[2-(cyclopropylamino)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-(cyclopropylamino)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID165122538
Molecular FormulaC14H13FN4O4S
Molecular Weight352.35 g/mol
Exact Mass352.06
IUPAC Name5-[2-(cyclopropylamino)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc3ccc(NC4CC4)nc3c2F)S(=O)(=O)N1
InChIInChI=1S/C14H13FN4O4S/c15-12-13-7(1-4-10(17-13)16-8-2-3-8)5-9(20)14(12)19-6-11(21)18-24(19,22)23/h1,4-5,8,20H,2-3,6H2,(H,16,17)(H,18,21)
InChIKeyAMPODQIELZSPOF-UHFFFAOYSA-N
XLogP0.83
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylamino)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-(cyclopropylamino)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 165122538) is 5-[2-(cyclopropylamino)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-(cyclopropylamino)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-(cyclopropylamino)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2c(O)cc3ccc(NC4CC4)nc3c2F)S(=O)(=O)N1.
What is the InChIKey of 5-[2-(cyclopropylamino)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is AMPODQIELZSPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O4S/c15-12-13-7(1-4-10(17-13)16-8-2-3-8)5-9(20)14(12)19-6-11(21)18-24(19,22)23/h1,4-5,8,20H,2-3,6H2,(H,16,17)(H,18,21).
What are the key properties of 5-[2-(cyclopropylamino)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[2-(cyclopropylamino)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 352.35 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylamino)-8-fluoro-6-hydroxyquinolin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 165122538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).