[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone

C25H22FN3OS — CID 1022891

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)s1
InChIInChI=1S/C25H22FN3OS/c1-17-6-11-24(31-17)23-16-21(20-4-2-3-5-22(20)27-23)25(30)29-14-12-28(13-15-29)19-9-7-18(26)8-10-19/h2-11,16H,12-15H2,1H3
InChIKeyFRUCFIJGXINJJP-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.37
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone (PubChem CID 1022891) has the molecular formula C25H22FN3OS and a molecular weight of 431.54 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
PubChem CID1022891
Molecular FormulaC25H22FN3OS
Molecular Weight431.54 g/mol
Exact Mass431.15
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)s1
InChIInChI=1S/C25H22FN3OS/c1-17-6-11-24(31-17)23-16-21(20-4-2-3-5-22(20)27-23)25(30)29-14-12-28(13-15-29)19-9-7-18(26)8-10-19/h2-11,16H,12-15H2,1H3
InChIKeyFRUCFIJGXINJJP-UHFFFAOYSA-N
XLogP5.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone with MolForge

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Related Compounds

[2-(5-methylthiophen-2-yl)quinolin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2931335
(4-benzhydrylpiperazin-1-yl)-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
CID 1010741
[2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 4554778
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
(4-benzhydrylpiperazin-4-ium-1-yl)-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
CID 4748948
2-(5-methylthiophen-2-yl)-N-[2-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4083806
(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
CID 9254247
(2,5-dimethylthiophen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9207325
[2-(5-chlorothiophen-2-yl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1022888
[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-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1023295

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone (CID 1022891) is [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)s1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone?
The InChIKey is FRUCFIJGXINJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3OS/c1-17-6-11-24(31-17)23-16-21(20-4-2-3-5-22(20)27-23)25(30)29-14-12-28(13-15-29)19-9-7-18(26)8-10-19/h2-11,16H,12-15H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone has a molecular weight of 431.54 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 1022891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).