N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide

C16H20BrN3O — CID 133326780

IUPACN-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNc1ccnc2ccc(Br)cc12
InChIInChI=1S/C16H20BrN3O/c1-16(2,3)15(21)20-9-8-19-14-6-7-18-13-5-4-11(17)10-12(13)14/h4-7,10H,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyJCFGWXNIESSKOQ-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.57
Rot. Bonds4

About N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide

N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 133326780) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide
PubChem CID133326780
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC NameN-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNc1ccnc2ccc(Br)cc12
InChIInChI=1S/C16H20BrN3O/c1-16(2,3)15(21)20-9-8-19-14-6-7-18-13-5-4-11(17)10-12(13)14/h4-7,10H,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyJCFGWXNIESSKOQ-UHFFFAOYSA-N
XLogP3.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide 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 N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide (CID 133326780) is N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCNc1ccnc2ccc(Br)cc12.
What is the InChIKey of N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is JCFGWXNIESSKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-16(2,3)15(21)20-9-8-19-14-6-7-18-13-5-4-11(17)10-12(13)14/h4-7,10H,8-9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 350.26 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 133326780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).