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

C16H17FN4O2S — CID 15020994

IUPAC9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCCn1c2cc(N3CCNCC3)c(F)cc2c(=O)c2c(=O)[nH]sc21
InChIInChI=1S/C16H17FN4O2S/c1-2-21-11-8-12(20-5-3-18-4-6-20)10(17)7-9(11)14(22)13-15(23)19-24-16(13)21/h7-8,18H,2-6H2,1H3,(H,19,23)
InChIKeyMBWBNCSIGOBACD-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.47
Rot. Bonds2

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

9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 15020994) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID15020994
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC Name9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCCn1c2cc(N3CCNCC3)c(F)cc2c(=O)c2c(=O)[nH]sc21
InChIInChI=1S/C16H17FN4O2S/c1-2-21-11-8-12(20-5-3-18-4-6-20)10(17)7-9(11)14(22)13-15(23)19-24-16(13)21/h7-8,18H,2-6H2,1H3,(H,19,23)
InChIKeyMBWBNCSIGOBACD-UHFFFAOYSA-N
XLogP1.47
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 15020994) is 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is CCn1c2cc(N3CCNCC3)c(F)cc2c(=O)c2c(=O)[nH]sc21.
What is the InChIKey of 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is MBWBNCSIGOBACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c1-2-21-11-8-12(20-5-3-18-4-6-20)10(17)7-9(11)14(22)13-15(23)19-24-16(13)21/h7-8,18H,2-6H2,1H3,(H,19,23).
What are the key properties of 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 348.40 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 15020994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).