[2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C26H21BrFN3O — CID 4554778

IUPAC[2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2cccc(Br)c2)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H21BrFN3O/c27-19-5-3-4-18(16-19)25-17-23(22-6-1-2-7-24(22)29-25)26(32)31-14-12-30(13-15-31)21-10-8-20(28)9-11-21/h1-11,16-17H,12-15H2
InChIKeyJZMDMXAFWXMQCW-UHFFFAOYSA-N
MW490.38 g/mol
LogP5.77
Rot. Bonds3

About [2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 4554778) has the molecular formula C26H21BrFN3O and a molecular weight of 490.38 g/mol. Its IUPAC name is [2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID4554778
Molecular FormulaC26H21BrFN3O
Molecular Weight490.38 g/mol
Exact Mass489.09
IUPAC Name[2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2cccc(Br)c2)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H21BrFN3O/c27-19-5-3-4-18(16-19)25-17-23(22-6-1-2-7-24(22)29-25)26(32)31-14-12-30(13-15-31)21-10-8-20(28)9-11-21/h1-11,16-17H,12-15H2
InChIKeyJZMDMXAFWXMQCW-UHFFFAOYSA-N
XLogP5.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.38
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
CID 1022891
[2-(3-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4256561
5-[4-[2-(3-bromophenyl)quinoline-4-carbonyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 166185499
[2-(3-bromophenyl)quinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 40543105
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 41115411
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18287541
[2-(3-bromophenyl)-6-methylquinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 2220574
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
(6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3557816
[6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3712808
[4-(4-chlorophenyl)piperazin-1-yl]-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
CID 4535152
[4-(4-nitrophenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 17375114

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 4554778) is [2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cc(-c2cccc(Br)c2)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is JZMDMXAFWXMQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BrFN3O/c27-19-5-3-4-18(16-19)25-17-23(22-6-1-2-7-24(22)29-25)26(32)31-14-12-30(13-15-31)21-10-8-20(28)9-11-21/h1-11,16-17H,12-15H2.
What are the key properties of [2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 490.38 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4554778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).