2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde

C20H13NO2 — CID 59599739

IUPAC2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(-c3cncc4ccccc34)ccc12
InChIInChI=1S/C20H13NO2/c22-12-19-17-7-5-14(9-13(17)6-8-20(19)23)18-11-21-10-15-3-1-2-4-16(15)18/h1-12,23H
InChIKeyXVGXYXVZUZYVGW-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.57
Rot. Bonds2

About 2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde

2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde (PubChem CID 59599739) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde
PubChem CID59599739
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(-c3cncc4ccccc34)ccc12
InChIInChI=1S/C20H13NO2/c22-12-19-17-7-5-14(9-13(17)6-8-20(19)23)18-11-21-10-15-3-1-2-4-16(15)18/h1-12,23H
InChIKeyXVGXYXVZUZYVGW-UHFFFAOYSA-N
XLogP4.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde (CID 59599739) is 2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde is O=Cc1c(O)ccc2cc(-c3cncc4ccccc34)ccc12.
What is the InChIKey of 2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde?
The InChIKey is XVGXYXVZUZYVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c22-12-19-17-7-5-14(9-13(17)6-8-20(19)23)18-11-21-10-15-3-1-2-4-16(15)18/h1-12,23H.
What are the key properties of 2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde?
2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde has a molecular weight of 299.33 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-isoquinolin-4-ylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 59599739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).