[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone

C18H15BrFN3OS — CID 133358272

IUPAC[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1
InChIInChI=1S/C18H15BrFN3OS/c19-13-10-12-3-4-17(21-15(12)11-14(13)20)22-5-7-23(8-6-22)18(24)16-2-1-9-25-16/h1-4,9-11H,5-8H2
InChIKeyPSWWFYRITUIVME-UHFFFAOYSA-N
MW420.31 g/mol
LogP4.16
Rot. Bonds2

About [4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 133358272) has the molecular formula C18H15BrFN3OS and a molecular weight of 420.31 g/mol. Its IUPAC name is [4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID133358272
Molecular FormulaC18H15BrFN3OS
Molecular Weight420.31 g/mol
Exact Mass419.01
IUPAC Name[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1
InChIInChI=1S/C18H15BrFN3OS/c19-13-10-12-3-4-17(21-15(12)11-14(13)20)22-5-7-23(8-6-22)18(24)16-2-1-9-25-16/h1-4,9-11H,5-8H2
InChIKeyPSWWFYRITUIVME-UHFFFAOYSA-N
XLogP4.16
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624
6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline
CID 133358648
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7292425
[4-(2,6-difluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113081223
[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 133370657
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113076911
[4-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 133372675
3,5-difluoro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzonitrile
CID 51101924
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 122340190
[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 56700437
[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 38004798
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968

Frequently Asked Questions

What is the IUPAC name of [4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 133358272) is [4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1.
What is the InChIKey of [4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is PSWWFYRITUIVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3OS/c19-13-10-12-3-4-17(21-15(12)11-14(13)20)22-5-7-23(8-6-22)18(24)16-2-1-9-25-16/h1-4,9-11H,5-8H2.
What are the key properties of [4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 420.31 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 133358272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).