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

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Related Compounds

1-[4-(6-chloro-1H-indol-4-yl)-1,4-diazepan-1-yl]ethanone
CID 158915053
1-[4-(2-fluoro-4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 71307673
1-[4-(5-bromo-2-fluoro-4-pyrrolidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 168514162
4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione
CID 167463235
4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-carboxamide
CID 157299477
6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid
CID 10714849
2-(4-acetylpiperazin-1-yl)-5-fluorobenzaldehyde
CID 43312919
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone
CID 121326388
6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylic acid
CID 10380367
1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone
CID 55004144
7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-3-[3-(4-fluorophenyl)prop-2-enoyl]quinolin-4-one
CID 175127626

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).