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

C24H22FN3O2S — CID 11539355

IUPAC9-cyclopropyl-6-fluoro-7-(3-piperidin-2-ylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3cccc(C4CCCCN4)c3)cc1n2C1CC1
InChIInChI=1S/C24H22FN3O2S/c25-18-11-17-20(28(15-7-8-15)24-21(22(17)29)23(30)27-31-24)12-16(18)13-4-3-5-14(10-13)19-6-1-2-9-26-19/h3-5,10-12,15,19,26H,1-2,6-9H2,(H,27,30)
InChIKeyPKSRQRFDRMZEJO-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.86
Rot. Bonds3

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

9-cyclopropyl-6-fluoro-7-(3-piperidin-2-ylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 11539355) has the molecular formula C24H22FN3O2S and a molecular weight of 435.52 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-7-(3-piperidin-2-ylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-7-(3-piperidin-2-ylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID11539355
Molecular FormulaC24H22FN3O2S
Molecular Weight435.52 g/mol
Exact Mass435.14
IUPAC Name9-cyclopropyl-6-fluoro-7-(3-piperidin-2-ylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3cccc(C4CCCCN4)c3)cc1n2C1CC1
InChIInChI=1S/C24H22FN3O2S/c25-18-11-17-20(28(15-7-8-15)24-21(22(17)29)23(30)27-31-24)12-16(18)13-4-3-5-14(10-13)19-6-1-2-9-26-19/h3-5,10-12,15,19,26H,1-2,6-9H2,(H,27,30)
InChIKeyPKSRQRFDRMZEJO-UHFFFAOYSA-N
XLogP4.86
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.86
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-piperidin-2-ylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-7-(3-piperidin-2-ylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 11539355) is 9-cyclopropyl-6-fluoro-7-(3-piperidin-2-ylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-7-(3-piperidin-2-ylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-7-(3-piperidin-2-ylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]sc2c1c(=O)c1cc(F)c(-c3cccc(C4CCCCN4)c3)cc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6-fluoro-7-(3-piperidin-2-ylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is PKSRQRFDRMZEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2S/c25-18-11-17-20(28(15-7-8-15)24-21(22(17)29)23(30)27-31-24)12-16(18)13-4-3-5-14(10-13)19-6-1-2-9-26-19/h3-5,10-12,15,19,26H,1-2,6-9H2,(H,27,30).
What are the key properties of 9-cyclopropyl-6-fluoro-7-(3-piperidin-2-ylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-7-(3-piperidin-2-ylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 435.52 g/mol, XLogP of 4.86, 3 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-piperidin-2-ylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 11539355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).