2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

C22H26FN3O — CID 68738267

IUPAC2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2ccccc2)CC1)N1CCCc2cc(F)ccc21
InChIInChI=1S/C22H26FN3O/c1-17(26-11-5-6-18-16-19(23)9-10-21(18)26)22(27)25-14-12-24(13-15-25)20-7-3-2-4-8-20/h2-4,7-10,16-17H,5-6,11-15H2,1H3
InChIKeyJYQUMMQHLHYOPS-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.32
Rot. Bonds3

About 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 68738267) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID68738267
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2ccccc2)CC1)N1CCCc2cc(F)ccc21
InChIInChI=1S/C22H26FN3O/c1-17(26-11-5-6-18-16-19(23)9-10-21(18)26)22(27)25-14-12-24(13-15-25)20-7-3-2-4-8-20/h2-4,7-10,16-17H,5-6,11-15H2,1H3
InChIKeyJYQUMMQHLHYOPS-UHFFFAOYSA-N
XLogP3.32
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonyl chloride
CID 161199208
N-[4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]phenyl]sulfonyl-3-iminobutanamide
CID 91563289
(2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9432303
4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;methyl N-[4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]phenyl]sulfonylcarbamate
CID 161493900
1-(aminomethylidene)-3-[4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]phenyl]sulfonylthiourea
CID 90893888
4-[4-[(2S)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide
CID 67476919
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide
CID 59465699
4-[4-[(2S)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 160910749
4-[4-[(2S)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(6-methoxypyridazin-3-yl)benzenesulfonamide;molecular hydrogen
CID 159044978
[N'-[4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]phenyl]sulfonylcarbamimidoyl] ethanimidothioate
CID 90905383
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17193924

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 68738267) is 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one is CC(C(=O)N1CCN(c2ccccc2)CC1)N1CCCc2cc(F)ccc21.
What is the InChIKey of 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is JYQUMMQHLHYOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-17(26-11-5-6-18-16-19(23)9-10-21(18)26)22(27)25-14-12-24(13-15-25)20-7-3-2-4-8-20/h2-4,7-10,16-17H,5-6,11-15H2,1H3.
What are the key properties of 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 367.47 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 68738267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).