1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one

C15H18FN3O — CID 12733939

IUPAC1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one
SMILESCCn1ccc(=O)c2cc(F)c(N3CCNCC3)cc21
InChIInChI=1S/C15H18FN3O/c1-2-18-6-3-15(20)11-9-12(16)14(10-13(11)18)19-7-4-17-5-8-19/h3,6,9-10,17H,2,4-5,7-8H2,1H3
InChIKeyGGLTXLVORITVKE-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.57
Rot. Bonds2

About 1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one

1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one (PubChem CID 12733939) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one.

Molecular Properties

Compound Name1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one
PubChem CID12733939
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one
SMILESCCn1ccc(=O)c2cc(F)c(N3CCNCC3)cc21
InChIInChI=1S/C15H18FN3O/c1-2-18-6-3-15(20)11-9-12(16)14(10-13(11)18)19-7-4-17-5-8-19/h3,6,9-10,17H,2,4-5,7-8H2,1H3
InChIKeyGGLTXLVORITVKE-UHFFFAOYSA-N
XLogP1.57
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one?
The IUPAC name of 1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one (CID 12733939) is 1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one.
What is the SMILES notation for 1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one?
The canonical SMILES for 1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one is CCn1ccc(=O)c2cc(F)c(N3CCNCC3)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one?
The InChIKey is GGLTXLVORITVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-18-6-3-15(20)11-9-12(16)14(10-13(11)18)19-7-4-17-5-8-19/h3,6,9-10,17H,2,4-5,7-8H2,1H3.
What are the key properties of 1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one?
1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one has a molecular weight of 275.33 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one is sourced from PubChem (CID 12733939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).