6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one

C21H21BrFN3O2 — CID 22576637

IUPAC6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
SMILESO=C(CN1C(=O)CCc2cc(Br)ccc21)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H21BrFN3O2/c22-16-6-7-18-15(13-16)5-8-20(27)26(18)14-21(28)25-11-9-24(10-12-25)19-4-2-1-3-17(19)23/h1-4,6-7,13H,5,8-12,14H2
InChIKeyFSQUUZZBCUSRAE-UHFFFAOYSA-N
MW446.32 g/mol
LogP3.22
Rot. Bonds3

About 6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one

6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one (PubChem CID 22576637) has the molecular formula C21H21BrFN3O2 and a molecular weight of 446.32 g/mol. Its IUPAC name is 6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
PubChem CID22576637
Molecular FormulaC21H21BrFN3O2
Molecular Weight446.32 g/mol
Exact Mass445.08
IUPAC Name6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
SMILESO=C(CN1C(=O)CCc2cc(Br)ccc21)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H21BrFN3O2/c22-16-6-7-18-15(13-16)5-8-20(27)26(18)14-21(28)25-11-9-24(10-12-25)19-4-2-1-3-17(19)23/h1-4,6-7,13H,5,8-12,14H2
InChIKeyFSQUUZZBCUSRAE-UHFFFAOYSA-N
XLogP3.22
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 18106218
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 4099040
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 22548627
2-(4-bromo-2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 1233602
1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113079541
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 26598791
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one
CID 171132610
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 35334739
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione
CID 110703277
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one (CID 22576637) is 6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one is O=C(CN1C(=O)CCc2cc(Br)ccc21)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is FSQUUZZBCUSRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrFN3O2/c22-16-6-7-18-15(13-16)5-8-20(27)26(18)14-21(28)25-11-9-24(10-12-25)19-4-2-1-3-17(19)23/h1-4,6-7,13H,5,8-12,14H2.
What are the key properties of 6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one?
6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 446.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 22576637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).