N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane

C19H25BrN2O2 — CID 144956361

IUPACN-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane
SMILESCC.CC(=O)N(c1c(C)cnc2ccc(Br)cc12)C1CCOCC1
InChIInChI=1S/C17H19BrN2O2.C2H6/c1-11-10-19-16-4-3-13(18)9-15(16)17(11)20(12(2)21)14-5-7-22-8-6-14;1-2/h3-4,9-10,14H,5-8H2,1-2H3;1-2H3
InChIKeyNUGPQAVRXLTFKT-UHFFFAOYSA-N
MW393.33 g/mol
LogP4.86
Rot. Bonds2

About N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane

N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane (PubChem CID 144956361) has the molecular formula C19H25BrN2O2 and a molecular weight of 393.33 g/mol. Its IUPAC name is N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane
PubChem CID144956361
Molecular FormulaC19H25BrN2O2
Molecular Weight393.33 g/mol
Exact Mass392.11
IUPAC NameN-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane
SMILESCC.CC(=O)N(c1c(C)cnc2ccc(Br)cc12)C1CCOCC1
InChIInChI=1S/C17H19BrN2O2.C2H6/c1-11-10-19-16-4-3-13(18)9-15(16)17(11)20(12(2)21)14-5-7-22-8-6-14;1-2/h3-4,9-10,14H,5-8H2,1-2H3;1-2H3
InChIKeyNUGPQAVRXLTFKT-UHFFFAOYSA-N
XLogP4.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane 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-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane?
The IUPAC name of N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane (CID 144956361) is N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane.
What is the SMILES notation for N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane?
The canonical SMILES for N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane is CC.CC(=O)N(c1c(C)cnc2ccc(Br)cc12)C1CCOCC1.
What is the InChIKey of N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane?
The InChIKey is NUGPQAVRXLTFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2.C2H6/c1-11-10-19-16-4-3-13(18)9-15(16)17(11)20(12(2)21)14-5-7-22-8-6-14;1-2/h3-4,9-10,14H,5-8H2,1-2H3;1-2H3.
What are the key properties of N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane?
N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane has a molecular weight of 393.33 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-methylquinolin-4-yl)-N-(oxan-4-yl)acetamide;ethane is sourced from PubChem (CID 144956361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).