9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

C19H13FN2O3S — CID 11566845

IUPAC9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3cccc(O)c3)cc1n2C1CC1
InChIInChI=1S/C19H13FN2O3S/c20-14-7-13-15(8-12(14)9-2-1-3-11(23)6-9)22(10-4-5-10)19-16(17(13)24)18(25)21-26-19/h1-3,6-8,10,23H,4-5H2,(H,21,25)
InChIKeyRFAPGAPICNQXOM-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.75
Rot. Bonds2

About 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 11566845) has the molecular formula C19H13FN2O3S and a molecular weight of 368.39 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID11566845
Molecular FormulaC19H13FN2O3S
Molecular Weight368.39 g/mol
Exact Mass368.06
IUPAC Name9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3cccc(O)c3)cc1n2C1CC1
InChIInChI=1S/C19H13FN2O3S/c20-14-7-13-15(8-12(14)9-2-1-3-11(23)6-9)22(10-4-5-10)19-16(17(13)24)18(25)21-26-19/h1-3,6-8,10,23H,4-5H2,(H,21,25)
InChIKeyRFAPGAPICNQXOM-UHFFFAOYSA-N
XLogP3.75
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 11566845) is 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]sc2c1c(=O)c1cc(F)c(-c3cccc(O)c3)cc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is RFAPGAPICNQXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3S/c20-14-7-13-15(8-12(14)9-2-1-3-11(23)6-9)22(10-4-5-10)19-16(17(13)24)18(25)21-26-19/h1-3,6-8,10,23H,4-5H2,(H,21,25).
What are the key properties of 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 368.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 11566845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).