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

C18H18FN3O2S — CID 19981997

IUPAC9-cyclopropyl-6-fluoro-7-piperidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(N3CCCCC3)cc1n2C1CC1
InChIInChI=1S/C18H18FN3O2S/c19-12-8-11-13(9-14(12)21-6-2-1-3-7-21)22(10-4-5-10)18-15(16(11)23)17(24)20-25-18/h8-10H,1-7H2,(H,20,24)
InChIKeyZCAJSXXZWNVOPZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.37
Rot. Bonds2

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

9-cyclopropyl-6-fluoro-7-piperidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 19981997) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-7-piperidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-7-piperidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID19981997
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name9-cyclopropyl-6-fluoro-7-piperidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(N3CCCCC3)cc1n2C1CC1
InChIInChI=1S/C18H18FN3O2S/c19-12-8-11-13(9-14(12)21-6-2-1-3-7-21)22(10-4-5-10)18-15(16(11)23)17(24)20-25-18/h8-10H,1-7H2,(H,20,24)
InChIKeyZCAJSXXZWNVOPZ-UHFFFAOYSA-N
XLogP3.37
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.37
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-piperidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-7-piperidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 19981997) is 9-cyclopropyl-6-fluoro-7-piperidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-7-piperidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-7-piperidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]sc2c1c(=O)c1cc(F)c(N3CCCCC3)cc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6-fluoro-7-piperidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is ZCAJSXXZWNVOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c19-12-8-11-13(9-14(12)21-6-2-1-3-7-21)22(10-4-5-10)18-15(16(11)23)17(24)20-25-18/h8-10H,1-7H2,(H,20,24).
What are the key properties of 9-cyclopropyl-6-fluoro-7-piperidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-7-piperidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 359.43 g/mol, XLogP of 3.37, 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-piperidin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 19981997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).