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

C23H19FN4OS — CID 18287541

IUPAC[2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1CCN(c2nccs2)CC1
InChIInChI=1S/C23H19FN4OS/c24-17-7-5-16(6-8-17)21-15-19(18-3-1-2-4-20(18)26-21)22(29)27-10-12-28(13-11-27)23-25-9-14-30-23/h1-9,14-15H,10-13H2
InChIKeyHHLIHPHRGREWNO-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.46
Rot. Bonds3

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

[2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 18287541) has the molecular formula C23H19FN4OS and a molecular weight of 418.50 g/mol. Its IUPAC name is [2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID18287541
Molecular FormulaC23H19FN4OS
Molecular Weight418.50 g/mol
Exact Mass418.13
IUPAC Name[2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1CCN(c2nccs2)CC1
InChIInChI=1S/C23H19FN4OS/c24-17-7-5-16(6-8-17)21-15-19(18-3-1-2-4-20(18)26-21)22(29)27-10-12-28(13-11-27)23-25-9-14-30-23/h1-9,14-15H,10-13H2
InChIKeyHHLIHPHRGREWNO-UHFFFAOYSA-N
XLogP4.46
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 41115411
[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2382262
[2-(3-bromophenyl)quinolin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 4554778
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2322249
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
CID 55614291
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 167790601
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 4584269
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
CID 1022891
8-[2-(4-fluorophenyl)quinoline-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 119065991
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3286771
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544927

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 18287541) is [2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1CCN(c2nccs2)CC1.
What is the InChIKey of [2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is HHLIHPHRGREWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4OS/c24-17-7-5-16(6-8-17)21-15-19(18-3-1-2-4-20(18)26-21)22(29)27-10-12-28(13-11-27)23-25-9-14-30-23/h1-9,14-15H,10-13H2.
What are the key properties of [2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 418.50 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 18287541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).