3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one

C23H18N2O2 — CID 135531001

IUPAC3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one
SMILESCc1cccc(/N=C/c2c(O)n(-c3ccccc3)c(=O)c3ccccc23)c1
InChIInChI=1S/C23H18N2O2/c1-16-8-7-9-17(14-16)24-15-21-19-12-5-6-13-20(19)22(26)25(23(21)27)18-10-3-2-4-11-18/h2-15,27H,1H3/b24-15+
InChIKeyHKKVKWIHFFPFPB-BUVRLJJBSA-N
MW354.41 g/mol
LogP4.76
Rot. Bonds3

About 3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one

3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one (PubChem CID 135531001) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one.

Molecular Properties

Compound Name3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one
PubChem CID135531001
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one
SMILESCc1cccc(/N=C/c2c(O)n(-c3ccccc3)c(=O)c3ccccc23)c1
InChIInChI=1S/C23H18N2O2/c1-16-8-7-9-17(14-16)24-15-21-19-12-5-6-13-20(19)22(26)25(23(21)27)18-10-3-2-4-11-18/h2-15,27H,1H3/b24-15+
InChIKeyHKKVKWIHFFPFPB-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'}

Analyze 3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one 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 3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one?
The IUPAC name of 3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one (CID 135531001) is 3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one.
What is the SMILES notation for 3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one?
The canonical SMILES for 3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one is Cc1cccc(/N=C/c2c(O)n(-c3ccccc3)c(=O)c3ccccc23)c1.
What is the InChIKey of 3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one?
The InChIKey is HKKVKWIHFFPFPB-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-16-8-7-9-17(14-16)24-15-21-19-12-5-6-13-20(19)22(26)25(23(21)27)18-10-3-2-4-11-18/h2-15,27H,1H3/b24-15+.
What are the key properties of 3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one?
3-hydroxy-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-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-4-[(3-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one is sourced from PubChem (CID 135531001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).