2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide

C14H17N3O2 — CID 106239415

IUPAC2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide
SMILESCc1cc(NCCOCC(N)=O)c2ccccc2n1
InChIInChI=1S/C14H17N3O2/c1-10-8-13(16-6-7-19-9-14(15)18)11-4-2-3-5-12(11)17-10/h2-5,8H,6-7,9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyFVRGHDKIYVMXPJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.46
Rot. Bonds6

About 2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide

2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide (PubChem CID 106239415) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide
PubChem CID106239415
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide
SMILESCc1cc(NCCOCC(N)=O)c2ccccc2n1
InChIInChI=1S/C14H17N3O2/c1-10-8-13(16-6-7-19-9-14(15)18)11-4-2-3-5-12(11)17-10/h2-5,8H,6-7,9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyFVRGHDKIYVMXPJ-UHFFFAOYSA-N
XLogP1.46
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide 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-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide (CID 106239415) is 2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide is Cc1cc(NCCOCC(N)=O)c2ccccc2n1.
What is the InChIKey of 2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide?
The InChIKey is FVRGHDKIYVMXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-8-13(16-6-7-19-9-14(15)18)11-4-2-3-5-12(11)17-10/h2-5,8H,6-7,9H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide?
2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylquinolin-4-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 106239415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).