3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one

C18H20FN5OS — CID 127052243

IUPAC3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one
SMILESCCn1cc(-c2csc(N)n2)c(=O)c2cc(F)c(N3CCNCC3)cc21
InChIInChI=1S/C18H20FN5OS/c1-2-23-9-12(14-10-26-18(20)22-14)17(25)11-7-13(19)16(8-15(11)23)24-5-3-21-4-6-24/h7-10,21H,2-6H2,1H3,(H2,20,22)
InChIKeyYHFLSSKUWOZVQY-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.28
Rot. Bonds3

About 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one

3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one (PubChem CID 127052243) has the molecular formula C18H20FN5OS and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one
PubChem CID127052243
Molecular FormulaC18H20FN5OS
Molecular Weight373.46 g/mol
Exact Mass373.14
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one
SMILESCCn1cc(-c2csc(N)n2)c(=O)c2cc(F)c(N3CCNCC3)cc21
InChIInChI=1S/C18H20FN5OS/c1-2-23-9-12(14-10-26-18(20)22-14)17(25)11-7-13(19)16(8-15(11)23)24-5-3-21-4-6-24/h7-10,21H,2-6H2,1H3,(H2,20,22)
InChIKeyYHFLSSKUWOZVQY-UHFFFAOYSA-N
XLogP2.28
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one (CID 127052243) is 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one is CCn1cc(-c2csc(N)n2)c(=O)c2cc(F)c(N3CCNCC3)cc21.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one?
The InChIKey is YHFLSSKUWOZVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5OS/c1-2-23-9-12(14-10-26-18(20)22-14)17(25)11-7-13(19)16(8-15(11)23)24-5-3-21-4-6-24/h7-10,21H,2-6H2,1H3,(H2,20,22).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one?
3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one has a molecular weight of 373.46 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one is sourced from PubChem (CID 127052243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).