3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6,8-difluoroquinolin-4-one

C14H11F2N3OS — CID 127050838

IUPAC3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6,8-difluoroquinolin-4-one
SMILESCCn1cc(-c2csc(N)n2)c(=O)c2cc(F)cc(F)c21
InChIInChI=1S/C14H11F2N3OS/c1-2-19-5-9(11-6-21-14(17)18-11)13(20)8-3-7(15)4-10(16)12(8)19/h3-6H,2H2,1H3,(H2,17,18)
InChIKeyHZDHSZXYINAZIO-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.01
Rot. Bonds2

About 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6,8-difluoroquinolin-4-one

3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6,8-difluoroquinolin-4-one (PubChem CID 127050838) has the molecular formula C14H11F2N3OS and a molecular weight of 307.32 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6,8-difluoroquinolin-4-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6,8-difluoroquinolin-4-one
PubChem CID127050838
Molecular FormulaC14H11F2N3OS
Molecular Weight307.32 g/mol
Exact Mass307.06
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6,8-difluoroquinolin-4-one
SMILESCCn1cc(-c2csc(N)n2)c(=O)c2cc(F)cc(F)c21
InChIInChI=1S/C14H11F2N3OS/c1-2-19-5-9(11-6-21-14(17)18-11)13(20)8-3-7(15)4-10(16)12(8)19/h3-6H,2H2,1H3,(H2,17,18)
InChIKeyHZDHSZXYINAZIO-UHFFFAOYSA-N
XLogP3.01
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.01
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-6,8-difluoroquinolin-4-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6,8-difluoroquinolin-4-one (CID 127050838) is 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6,8-difluoroquinolin-4-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6,8-difluoroquinolin-4-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6,8-difluoroquinolin-4-one is CCn1cc(-c2csc(N)n2)c(=O)c2cc(F)cc(F)c21.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6,8-difluoroquinolin-4-one?
The InChIKey is HZDHSZXYINAZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3OS/c1-2-19-5-9(11-6-21-14(17)18-11)13(20)8-3-7(15)4-10(16)12(8)19/h3-6H,2H2,1H3,(H2,17,18).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6,8-difluoroquinolin-4-one?
3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6,8-difluoroquinolin-4-one has a molecular weight of 307.32 g/mol, XLogP of 3.01, 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-6,8-difluoroquinolin-4-one is sourced from PubChem (CID 127050838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).