9-cyclopropyl-6-fluoro-7-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

C18H12FN3O2S — CID 11405503

IUPAC9-cyclopropyl-6-fluoro-7-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3cccnc3)cc1n2C1CC1
InChIInChI=1S/C18H12FN3O2S/c19-13-6-12-14(7-11(13)9-2-1-5-20-8-9)22(10-3-4-10)18-15(16(12)23)17(24)21-25-18/h1-2,5-8,10H,3-4H2,(H,21,24)
InChIKeyXFFNZYGEEVRMSC-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.44
Rot. Bonds2

About 9-cyclopropyl-6-fluoro-7-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

9-cyclopropyl-6-fluoro-7-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 11405503) has the molecular formula C18H12FN3O2S and a molecular weight of 353.38 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-7-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-7-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID11405503
Molecular FormulaC18H12FN3O2S
Molecular Weight353.38 g/mol
Exact Mass353.06
IUPAC Name9-cyclopropyl-6-fluoro-7-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3cccnc3)cc1n2C1CC1
InChIInChI=1S/C18H12FN3O2S/c19-13-6-12-14(7-11(13)9-2-1-5-20-8-9)22(10-3-4-10)18-15(16(12)23)17(24)21-25-18/h1-2,5-8,10H,3-4H2,(H,21,24)
InChIKeyXFFNZYGEEVRMSC-UHFFFAOYSA-N
XLogP3.44
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.44
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-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-7-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 11405503) is 9-cyclopropyl-6-fluoro-7-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-7-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-7-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]sc2c1c(=O)c1cc(F)c(-c3cccnc3)cc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6-fluoro-7-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is XFFNZYGEEVRMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S/c19-13-6-12-14(7-11(13)9-2-1-5-20-8-9)22(10-3-4-10)18-15(16(12)23)17(24)21-25-18/h1-2,5-8,10H,3-4H2,(H,21,24).
What are the key properties of 9-cyclopropyl-6-fluoro-7-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-7-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 353.38 g/mol, XLogP of 3.44, 2 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-pyridin-3-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 11405503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).