[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone

C21H17ClFN3O2 — CID 55724132

IUPAC[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(C(=O)c2cccc3ncccc23)CC1
InChIInChI=1S/C21H17ClFN3O2/c22-14-6-7-18(23)17(13-14)21(28)26-11-9-25(10-12-26)20(27)16-3-1-5-19-15(16)4-2-8-24-19/h1-8,13H,9-12H2
InChIKeyPHCICUHEDYXTJK-UHFFFAOYSA-N
MW397.84 g/mol
LogP3.63
Rot. Bonds2

About [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone

[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone (PubChem CID 55724132) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone
PubChem CID55724132
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC Name[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(C(=O)c2cccc3ncccc23)CC1
InChIInChI=1S/C21H17ClFN3O2/c22-14-6-7-18(23)17(13-14)21(28)26-11-9-25(10-12-26)20(27)16-3-1-5-19-15(16)4-2-8-24-19/h1-8,13H,9-12H2
InChIKeyPHCICUHEDYXTJK-UHFFFAOYSA-N
XLogP3.63
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone
CID 67169614
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 46479086
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
(5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 78899109
quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 37358886
4-chloro-2-quinolin-5-ylbenzoic acid
CID 107989819
[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 17455550
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615888

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone?
The IUPAC name of [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone (CID 55724132) is [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone is O=C(c1cc(Cl)ccc1F)N1CCN(C(=O)c2cccc3ncccc23)CC1.
What is the InChIKey of [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone?
The InChIKey is PHCICUHEDYXTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c22-14-6-7-18(23)17(13-14)21(28)26-11-9-25(10-12-26)20(27)16-3-1-5-19-15(16)4-2-8-24-19/h1-8,13H,9-12H2.
What are the key properties of [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone?
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone has a molecular weight of 397.84 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 55724132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).