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

C20H12F4N2O3S — CID 11590195

IUPAC9-cyclopropyl-6-fluoro-7-[4-(trifluoromethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3ccc(OC(F)(F)F)cc3)cc1n2C1CC1
InChIInChI=1S/C20H12F4N2O3S/c21-14-7-13-15(8-12(14)9-1-5-11(6-2-9)29-20(22,23)24)26(10-3-4-10)19-16(17(13)27)18(28)25-30-19/h1-2,5-8,10H,3-4H2,(H,25,28)
InChIKeyUCRNNYPIRHITCE-UHFFFAOYSA-N
MW436.39 g/mol
LogP4.94
Rot. Bonds3

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

9-cyclopropyl-6-fluoro-7-[4-(trifluoromethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 11590195) has the molecular formula C20H12F4N2O3S and a molecular weight of 436.39 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-7-[4-(trifluoromethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-7-[4-(trifluoromethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID11590195
Molecular FormulaC20H12F4N2O3S
Molecular Weight436.39 g/mol
Exact Mass436.05
IUPAC Name9-cyclopropyl-6-fluoro-7-[4-(trifluoromethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3ccc(OC(F)(F)F)cc3)cc1n2C1CC1
InChIInChI=1S/C20H12F4N2O3S/c21-14-7-13-15(8-12(14)9-1-5-11(6-2-9)29-20(22,23)24)26(10-3-4-10)19-16(17(13)27)18(28)25-30-19/h1-2,5-8,10H,3-4H2,(H,25,28)
InChIKeyUCRNNYPIRHITCE-UHFFFAOYSA-N
XLogP4.94
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-fluoro-7-[4-(trifluoromethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-7-[4-(trifluoromethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 11590195) is 9-cyclopropyl-6-fluoro-7-[4-(trifluoromethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-7-[4-(trifluoromethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-7-[4-(trifluoromethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]sc2c1c(=O)c1cc(F)c(-c3ccc(OC(F)(F)F)cc3)cc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6-fluoro-7-[4-(trifluoromethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is UCRNNYPIRHITCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N2O3S/c21-14-7-13-15(8-12(14)9-1-5-11(6-2-9)29-20(22,23)24)26(10-3-4-10)19-16(17(13)27)18(28)25-30-19/h1-2,5-8,10H,3-4H2,(H,25,28).
What are the key properties of 9-cyclopropyl-6-fluoro-7-[4-(trifluoromethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-7-[4-(trifluoromethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 436.39 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6-fluoro-7-[4-(trifluoromethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 11590195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).