2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde

C26H19NO3 — CID 90429884

IUPAC2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde
SMILESO=Cc1cc(-c2cccc3cccc(C4=CN(O)Cc5ccccc54)c23)ccc1O
InChIInChI=1S/C26H19NO3/c28-16-20-13-18(11-12-25(20)29)22-9-3-6-17-7-4-10-23(26(17)22)24-15-27(30)14-19-5-1-2-8-21(19)24/h1-13,15-16,29-30H,14H2
InChIKeyMXGRVBLIJMGBMN-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.62
Rot. Bonds3

About 2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde

2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde (PubChem CID 90429884) has the molecular formula C26H19NO3 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde
PubChem CID90429884
Molecular FormulaC26H19NO3
Molecular Weight393.44 g/mol
Exact Mass393.14
IUPAC Name2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde
SMILESO=Cc1cc(-c2cccc3cccc(C4=CN(O)Cc5ccccc54)c23)ccc1O
InChIInChI=1S/C26H19NO3/c28-16-20-13-18(11-12-25(20)29)22-9-3-6-17-7-4-10-23(26(17)22)24-15-27(30)14-19-5-1-2-8-21(19)24/h1-13,15-16,29-30H,14H2
InChIKeyMXGRVBLIJMGBMN-UHFFFAOYSA-N
XLogP5.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde 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-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde?
The IUPAC name of 2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde (CID 90429884) is 2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde?
The canonical SMILES for 2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde is O=Cc1cc(-c2cccc3cccc(C4=CN(O)Cc5ccccc54)c23)ccc1O.
What is the InChIKey of 2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde?
The InChIKey is MXGRVBLIJMGBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO3/c28-16-20-13-18(11-12-25(20)29)22-9-3-6-17-7-4-10-23(26(17)22)24-15-27(30)14-19-5-1-2-8-21(19)24/h1-13,15-16,29-30H,14H2.
What are the key properties of 2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde?
2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde has a molecular weight of 393.44 g/mol, XLogP of 5.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[8-(2-hydroxy-1H-isoquinolin-4-yl)naphthalen-1-yl]benzaldehyde is sourced from PubChem (CID 90429884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).