3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one

C14H12FN3OS — CID 127050818

IUPAC3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one
SMILESCCn1cc(-c2csc(N)n2)c(=O)c2cccc(F)c21
InChIInChI=1S/C14H12FN3OS/c1-2-18-6-9(11-7-20-14(16)17-11)13(19)8-4-3-5-10(15)12(8)18/h3-7H,2H2,1H3,(H2,16,17)
InChIKeyXZOQNGFDRIHSGR-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.87
Rot. Bonds2

About 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one

3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one (PubChem CID 127050818) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one
PubChem CID127050818
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one
SMILESCCn1cc(-c2csc(N)n2)c(=O)c2cccc(F)c21
InChIInChI=1S/C14H12FN3OS/c1-2-18-6-9(11-7-20-14(16)17-11)13(19)8-4-3-5-10(15)12(8)18/h3-7H,2H2,1H3,(H2,16,17)
InChIKeyXZOQNGFDRIHSGR-UHFFFAOYSA-N
XLogP2.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one (CID 127050818) is 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one is CCn1cc(-c2csc(N)n2)c(=O)c2cccc(F)c21.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one?
The InChIKey is XZOQNGFDRIHSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-2-18-6-9(11-7-20-14(16)17-11)13(19)8-4-3-5-10(15)12(8)18/h3-7H,2H2,1H3,(H2,16,17).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one?
3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one has a molecular weight of 289.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-8-fluoroquinolin-4-one is sourced from PubChem (CID 127050818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).