1-benzyl-4-prop-2-ynoxyquinolin-2-one

C19H15NO2 — CID 10085571

IUPAC1-benzyl-4-prop-2-ynoxyquinolin-2-one
SMILESC#CCOc1cc(=O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H15NO2/c1-2-12-22-18-13-19(21)20(14-15-8-4-3-5-9-15)17-11-7-6-10-16(17)18/h1,3-11,13H,12,14H2
InChIKeyWVGMVIWCZBKEBG-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.06
Rot. Bonds4

About 1-benzyl-4-prop-2-ynoxyquinolin-2-one

1-benzyl-4-prop-2-ynoxyquinolin-2-one (PubChem CID 10085571) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-benzyl-4-prop-2-ynoxyquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-4-prop-2-ynoxyquinolin-2-one
PubChem CID10085571
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name1-benzyl-4-prop-2-ynoxyquinolin-2-one
SMILESC#CCOc1cc(=O)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H15NO2/c1-2-12-22-18-13-19(21)20(14-15-8-4-3-5-9-15)17-11-7-6-10-16(17)18/h1,3-11,13H,12,14H2
InChIKeyWVGMVIWCZBKEBG-UHFFFAOYSA-N
XLogP3.06
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzyl-4-prop-2-ynoxyquinolin-2-one 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 1-benzyl-4-prop-2-ynoxyquinolin-2-one?
The IUPAC name of 1-benzyl-4-prop-2-ynoxyquinolin-2-one (CID 10085571) is 1-benzyl-4-prop-2-ynoxyquinolin-2-one.
What is the SMILES notation for 1-benzyl-4-prop-2-ynoxyquinolin-2-one?
The canonical SMILES for 1-benzyl-4-prop-2-ynoxyquinolin-2-one is C#CCOc1cc(=O)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-4-prop-2-ynoxyquinolin-2-one?
The InChIKey is WVGMVIWCZBKEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c1-2-12-22-18-13-19(21)20(14-15-8-4-3-5-9-15)17-11-7-6-10-16(17)18/h1,3-11,13H,12,14H2.
What are the key properties of 1-benzyl-4-prop-2-ynoxyquinolin-2-one?
1-benzyl-4-prop-2-ynoxyquinolin-2-one has a molecular weight of 289.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-prop-2-ynoxyquinolin-2-one is sourced from PubChem (CID 10085571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).