2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide

C18H19BrN4O2 — CID 133283467

IUPAC2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(c2ccnc3c(Br)cccc23)CC1
InChIInChI=1S/C18H19BrN4O2/c19-14-3-1-2-13-15(6-7-20-16(13)14)22-8-10-23(11-9-22)18(25)17(24)21-12-4-5-12/h1-3,6-7,12H,4-5,8-11H2,(H,21,24)
InChIKeyBKSZSZCHKGNSAI-UHFFFAOYSA-N
MW403.28 g/mol
LogP1.92
Rot. Bonds2

About 2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide

2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide (PubChem CID 133283467) has the molecular formula C18H19BrN4O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is 2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
PubChem CID133283467
Molecular FormulaC18H19BrN4O2
Molecular Weight403.28 g/mol
Exact Mass402.07
IUPAC Name2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(c2ccnc3c(Br)cccc23)CC1
InChIInChI=1S/C18H19BrN4O2/c19-14-3-1-2-13-15(6-7-20-16(13)14)22-8-10-23(11-9-22)18(25)17(24)21-12-4-5-12/h1-3,6-7,12H,4-5,8-11H2,(H,21,24)
InChIKeyBKSZSZCHKGNSAI-UHFFFAOYSA-N
XLogP1.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide 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-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
The IUPAC name of 2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide (CID 133283467) is 2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide.
What is the SMILES notation for 2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
The canonical SMILES for 2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide is O=C(NC1CC1)C(=O)N1CCN(c2ccnc3c(Br)cccc23)CC1.
What is the InChIKey of 2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
The InChIKey is BKSZSZCHKGNSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2/c19-14-3-1-2-13-15(6-7-20-16(13)14)22-8-10-23(11-9-22)18(25)17(24)21-12-4-5-12/h1-3,6-7,12H,4-5,8-11H2,(H,21,24).
What are the key properties of 2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide has a molecular weight of 403.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide is sourced from PubChem (CID 133283467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).