3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one

C24H20N2O4 — CID 2866203

IUPAC3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one
SMILESCOc1ccc(/N=C/c2c(O)n(-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C24H20N2O4/c1-29-18-11-7-16(8-12-18)25-15-22-20-5-3-4-6-21(20)23(27)26(24(22)28)17-9-13-19(30-2)14-10-17/h3-15,28H,1-2H3/b25-15+
InChIKeyFYJGGWJMSRCCKN-MFKUBSTISA-N
MW400.43 g/mol
LogP4.46
Rot. Bonds5

About 3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one

3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one (PubChem CID 2866203) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one
PubChem CID2866203
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one
SMILESCOc1ccc(/N=C/c2c(O)n(-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C24H20N2O4/c1-29-18-11-7-16(8-12-18)25-15-22-20-5-3-4-6-21(20)23(27)26(24(22)28)17-9-13-19(30-2)14-10-17/h3-15,28H,1-2H3/b25-15+
InChIKeyFYJGGWJMSRCCKN-MFKUBSTISA-N
XLogP4.46
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one?
The IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one (CID 2866203) is 3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one.
What is the SMILES notation for 3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one?
The canonical SMILES for 3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one is COc1ccc(/N=C/c2c(O)n(-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1.
What is the InChIKey of 3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one?
The InChIKey is FYJGGWJMSRCCKN-MFKUBSTISA-N. The full InChI is InChI=1S/C24H20N2O4/c1-29-18-11-7-16(8-12-18)25-15-22-20-5-3-4-6-21(20)23(27)26(24(22)28)17-9-13-19(30-2)14-10-17/h3-15,28H,1-2H3/b25-15+.
What are the key properties of 3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one?
3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one has a molecular weight of 400.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]isoquinolin-1-one is sourced from PubChem (CID 2866203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).