4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile

C26H22N2O4 — CID 42956062

IUPAC4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile
SMILESCOc1ccc2c(-c3ccccc3)cc(=O)n(CC(O)COc3ccc(C#N)cc3)c2c1
InChIInChI=1S/C26H22N2O4/c1-31-22-11-12-23-24(19-5-3-2-4-6-19)14-26(30)28(25(23)13-22)16-20(29)17-32-21-9-7-18(15-27)8-10-21/h2-14,20,29H,16-17H2,1H3
InChIKeyHLQOHMOGNYYMKN-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.99
Rot. Bonds7

About 4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile

4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile (PubChem CID 42956062) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile
PubChem CID42956062
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile
SMILESCOc1ccc2c(-c3ccccc3)cc(=O)n(CC(O)COc3ccc(C#N)cc3)c2c1
InChIInChI=1S/C26H22N2O4/c1-31-22-11-12-23-24(19-5-3-2-4-6-19)14-26(30)28(25(23)13-22)16-20(29)17-32-21-9-7-18(15-27)8-10-21/h2-14,20,29H,16-17H2,1H3
InChIKeyHLQOHMOGNYYMKN-UHFFFAOYSA-N
XLogP3.99
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile 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 4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile?
The IUPAC name of 4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile (CID 42956062) is 4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile.
What is the SMILES notation for 4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile?
The canonical SMILES for 4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile is COc1ccc2c(-c3ccccc3)cc(=O)n(CC(O)COc3ccc(C#N)cc3)c2c1.
What is the InChIKey of 4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile?
The InChIKey is HLQOHMOGNYYMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-31-22-11-12-23-24(19-5-3-2-4-6-19)14-26(30)28(25(23)13-22)16-20(29)17-32-21-9-7-18(15-27)8-10-21/h2-14,20,29H,16-17H2,1H3.
What are the key properties of 4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile?
4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile has a molecular weight of 426.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(7-methoxy-2-oxo-4-phenylquinolin-1-yl)propoxy]benzonitrile is sourced from PubChem (CID 42956062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).