7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one

C15H16FN3O2 — CID 71337771

IUPAC7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one
SMILESCC(=O)N1CCN(c2cc3[nH]ccc(=O)c3cc2F)CC1
InChIInChI=1S/C15H16FN3O2/c1-10(20)18-4-6-19(7-5-18)14-9-13-11(8-12(14)16)15(21)2-3-17-13/h2-3,8-9H,4-7H2,1H3,(H,17,21)
InChIKeyLBKRRQWBCCTKDN-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.34
Rot. Bonds1

About 7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one

7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one (PubChem CID 71337771) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one
PubChem CID71337771
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one
SMILESCC(=O)N1CCN(c2cc3[nH]ccc(=O)c3cc2F)CC1
InChIInChI=1S/C15H16FN3O2/c1-10(20)18-4-6-19(7-5-18)14-9-13-11(8-12(14)16)15(21)2-3-17-13/h2-3,8-9H,4-7H2,1H3,(H,17,21)
InChIKeyLBKRRQWBCCTKDN-UHFFFAOYSA-N
XLogP1.34
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one?
The IUPAC name of 7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one (CID 71337771) is 7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one?
The canonical SMILES for 7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one is CC(=O)N1CCN(c2cc3[nH]ccc(=O)c3cc2F)CC1.
What is the InChIKey of 7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one?
The InChIKey is LBKRRQWBCCTKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-10(20)18-4-6-19(7-5-18)14-9-13-11(8-12(14)16)15(21)2-3-17-13/h2-3,8-9H,4-7H2,1H3,(H,17,21).
What are the key properties of 7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one?
7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one has a molecular weight of 289.31 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-acetylpiperazin-1-yl)-6-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 71337771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).