2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide

C15H17BrN4O — CID 71917685

IUPAC2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2ccc3cccc(Br)c3n2)CC1
InChIInChI=1S/C15H17BrN4O/c16-12-3-1-2-11-4-5-14(18-15(11)12)20-8-6-19(7-9-20)10-13(17)21/h1-5H,6-10H2,(H2,17,21)
InChIKeyYVGZVYDYDWCCGH-UHFFFAOYSA-N
MW349.23 g/mol
LogP1.60
Rot. Bonds3

About 2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide

2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide (PubChem CID 71917685) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide
PubChem CID71917685
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2ccc3cccc(Br)c3n2)CC1
InChIInChI=1S/C15H17BrN4O/c16-12-3-1-2-11-4-5-14(18-15(11)12)20-8-6-19(7-9-20)10-13(17)21/h1-5H,6-10H2,(H2,17,21)
InChIKeyYVGZVYDYDWCCGH-UHFFFAOYSA-N
XLogP1.60
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide (CID 71917685) is 2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide is NC(=O)CN1CCN(c2ccc3cccc(Br)c3n2)CC1.
What is the InChIKey of 2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is YVGZVYDYDWCCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-12-3-1-2-11-4-5-14(18-15(11)12)20-8-6-19(7-9-20)10-13(17)21/h1-5H,6-10H2,(H2,17,21).
What are the key properties of 2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide?
2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 349.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 71917685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).