3-hydroxy-2-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one

C23H18N2O2 — CID 2437366

IUPAC3-hydroxy-2-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one
SMILESCc1ccccc1-n1c(O)c(/C=N/c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C23H18N2O2/c1-16-9-5-8-14-21(16)25-22(26)19-13-7-6-12-18(19)20(23(25)27)15-24-17-10-3-2-4-11-17/h2-15,27H,1H3/b24-15+
InChIKeyGFONNSLBDAFWPC-BUVRLJJBSA-N
MW354.41 g/mol
LogP4.76
Rot. Bonds3

About 3-hydroxy-2-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one

3-hydroxy-2-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one (PubChem CID 2437366) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-hydroxy-2-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one
PubChem CID2437366
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name3-hydroxy-2-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one
SMILESCc1ccccc1-n1c(O)c(/C=N/c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C23H18N2O2/c1-16-9-5-8-14-21(16)25-22(26)19-13-7-6-12-18(19)20(23(25)27)15-24-17-10-3-2-4-11-17/h2-15,27H,1H3/b24-15+
InChIKeyGFONNSLBDAFWPC-BUVRLJJBSA-N
XLogP4.76
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one?
The IUPAC name of 3-hydroxy-2-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one (CID 2437366) is 3-hydroxy-2-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one.
What is the SMILES notation for 3-hydroxy-2-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one?
The canonical SMILES for 3-hydroxy-2-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one is Cc1ccccc1-n1c(O)c(/C=N/c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 3-hydroxy-2-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one?
The InChIKey is GFONNSLBDAFWPC-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-16-9-5-8-14-21(16)25-22(26)19-13-7-6-12-18(19)20(23(25)27)15-24-17-10-3-2-4-11-17/h2-15,27H,1H3/b24-15+.
What are the key properties of 3-hydroxy-2-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one?
3-hydroxy-2-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one has a molecular weight of 354.41 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-methylphenyl)-4-(phenyliminomethyl)isoquinolin-1-one is sourced from PubChem (CID 2437366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).