2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone

C16H16Br2N2O2 — CID 2370216

IUPAC2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone
SMILESO=C(COc1c(Br)cc(Br)c2cccnc12)N1CCCCC1
InChIInChI=1S/C16H16Br2N2O2/c17-12-9-13(18)16(15-11(12)5-4-6-19-15)22-10-14(21)20-7-2-1-3-8-20/h4-6,9H,1-3,7-8,10H2
InChIKeyZXVSNIVUFHQUNV-UHFFFAOYSA-N
MW428.12 g/mol
LogP4.15
Rot. Bonds3

About 2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone

2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone (PubChem CID 2370216) has the molecular formula C16H16Br2N2O2 and a molecular weight of 428.12 g/mol. Its IUPAC name is 2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone
PubChem CID2370216
Molecular FormulaC16H16Br2N2O2
Molecular Weight428.12 g/mol
Exact Mass425.96
IUPAC Name2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone
SMILESO=C(COc1c(Br)cc(Br)c2cccnc12)N1CCCCC1
InChIInChI=1S/C16H16Br2N2O2/c17-12-9-13(18)16(15-11(12)5-4-6-19-15)22-10-14(21)20-7-2-1-3-8-20/h4-6,9H,1-3,7-8,10H2
InChIKeyZXVSNIVUFHQUNV-UHFFFAOYSA-N
XLogP4.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.12
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone?
The IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone (CID 2370216) is 2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone is O=C(COc1c(Br)cc(Br)c2cccnc12)N1CCCCC1.
What is the InChIKey of 2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone?
The InChIKey is ZXVSNIVUFHQUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O2/c17-12-9-13(18)16(15-11(12)5-4-6-19-15)22-10-14(21)20-7-2-1-3-8-20/h4-6,9H,1-3,7-8,10H2.
What are the key properties of 2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone?
2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone has a molecular weight of 428.12 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone is sourced from PubChem (CID 2370216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).