[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

C24H20FN3OS — CID 4584269

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H20FN3OS/c25-19-7-2-4-9-22(19)27-11-13-28(14-12-27)24(29)18-16-21(23-10-5-15-30-23)26-20-8-3-1-6-17(18)20/h1-10,15-16H,11-14H2
InChIKeyAGVWENKFSHEFSX-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.06
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone (PubChem CID 4584269) has the molecular formula C24H20FN3OS and a molecular weight of 417.51 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
PubChem CID4584269
Molecular FormulaC24H20FN3OS
Molecular Weight417.51 g/mol
Exact Mass417.13
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H20FN3OS/c25-19-7-2-4-9-22(19)27-11-13-28(14-12-27)24(29)18-16-21(23-10-5-15-30-23)26-20-8-3-1-6-17(18)20/h1-10,15-16H,11-14H2
InChIKeyAGVWENKFSHEFSX-UHFFFAOYSA-N
XLogP5.06
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 56510738
ethyl 4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazine-1-carboxylate
CID 35508684
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119559766
4-[4-(2-thiophen-2-ylquinoline-4-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 55720795
[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 43981742
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 42470155
(6-fluoro-2-thiophen-2-ylquinolin-4-yl)-morpholin-4-ylmethanone
CID 1166469
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119621650
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3286771
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18287541

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone (CID 4584269) is [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone is O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The InChIKey is AGVWENKFSHEFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3OS/c25-19-7-2-4-9-22(19)27-11-13-28(14-12-27)24(29)18-16-21(23-10-5-15-30-23)26-20-8-3-1-6-17(18)20/h1-10,15-16H,11-14H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone has a molecular weight of 417.51 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 4584269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).