3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid

C19H25NO5 — CID 141141884

IUPAC3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid
SMILESCCn1ccc(=O)c2cc(CCCOCCOCCC(=O)O)ccc21
InChIInChI=1S/C19H25NO5/c1-2-20-9-7-18(21)16-14-15(5-6-17(16)20)4-3-10-24-12-13-25-11-8-19(22)23/h5-7,9,14H,2-4,8,10-13H2,1H3,(H,22,23)
InChIKeyNOXHVDZCZDRQKB-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.46
Rot. Bonds11

About 3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid

3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid (PubChem CID 141141884) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is 3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid
PubChem CID141141884
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid
SMILESCCn1ccc(=O)c2cc(CCCOCCOCCC(=O)O)ccc21
InChIInChI=1S/C19H25NO5/c1-2-20-9-7-18(21)16-14-15(5-6-17(16)20)4-3-10-24-12-13-25-11-8-19(22)23/h5-7,9,14H,2-4,8,10-13H2,1H3,(H,22,23)
InChIKeyNOXHVDZCZDRQKB-UHFFFAOYSA-N
XLogP2.46
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid 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 3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid (CID 141141884) is 3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid is CCn1ccc(=O)c2cc(CCCOCCOCCC(=O)O)ccc21.
What is the InChIKey of 3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid?
The InChIKey is NOXHVDZCZDRQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-2-20-9-7-18(21)16-14-15(5-6-17(16)20)4-3-10-24-12-13-25-11-8-19(22)23/h5-7,9,14H,2-4,8,10-13H2,1H3,(H,22,23).
What are the key properties of 3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid?
3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid has a molecular weight of 347.41 g/mol, XLogP of 2.46, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(1-ethyl-4-oxoquinolin-6-yl)propoxy]ethoxy]propanoic acid is sourced from PubChem (CID 141141884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).