2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide

C21H20BrFN4O — CID 133417218

IUPAC2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1CCN(c2ccnc3ccc(Br)cc23)CC1)Nc1ccccc1F
InChIInChI=1S/C21H20BrFN4O/c22-15-5-6-18-16(13-15)20(7-8-24-18)27-11-9-26(10-12-27)14-21(28)25-19-4-2-1-3-17(19)23/h1-8,13H,9-12,14H2,(H,25,28)
InChIKeyPDTSXGLZWOFOLW-UHFFFAOYSA-N
MW443.32 g/mol
LogP3.90
Rot. Bonds4

About 2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide

2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 133417218) has the molecular formula C21H20BrFN4O and a molecular weight of 443.32 g/mol. Its IUPAC name is 2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID133417218
Molecular FormulaC21H20BrFN4O
Molecular Weight443.32 g/mol
Exact Mass442.08
IUPAC Name2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1CCN(c2ccnc3ccc(Br)cc23)CC1)Nc1ccccc1F
InChIInChI=1S/C21H20BrFN4O/c22-15-5-6-18-16(13-15)20(7-8-24-18)27-11-9-26(10-12-27)14-21(28)25-19-4-2-1-3-17(19)23/h1-8,13H,9-12,14H2,(H,25,28)
InChIKeyPDTSXGLZWOFOLW-UHFFFAOYSA-N
XLogP3.90
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide
CID 133417321
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 1439401
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5019099
N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide
CID 133417231
methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate
CID 133333942
N-(4-bromo-2-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469671
3-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 37408899
2-[4-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 133417336
N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide
CID 133417299
2-(4-benzhydrylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 4235260
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887
N-(2,5-dichlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 2120382

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide (CID 133417218) is 2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide is O=C(CN1CCN(c2ccnc3ccc(Br)cc23)CC1)Nc1ccccc1F.
What is the InChIKey of 2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is PDTSXGLZWOFOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrFN4O/c22-15-5-6-18-16(13-15)20(7-8-24-18)27-11-9-26(10-12-27)14-21(28)25-19-4-2-1-3-17(19)23/h1-8,13H,9-12,14H2,(H,25,28).
What are the key properties of 2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 443.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-bromoquinolin-4-yl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 133417218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).