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

C23H18N2O2 — CID 3561966

IUPAC3-hydroxy-4-[(4-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one
SMILESCc1ccc(/N=C/c2c(O)n(-c3ccccc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18N2O2/c1-16-11-13-17(14-12-16)24-15-21-19-9-5-6-10-20(19)22(26)25(23(21)27)18-7-3-2-4-8-18/h2-15,27H,1H3/b24-15+
InChIKeyFTDBGBQPVQVUCR-BUVRLJJBSA-N
MW354.41 g/mol
LogP4.76
Rot. Bonds3

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

3-hydroxy-4-[(4-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one (PubChem CID 3561966) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-hydroxy-4-[(4-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one.

Molecular Properties

Compound Name3-hydroxy-4-[(4-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one
PubChem CID3561966
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name3-hydroxy-4-[(4-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one
SMILESCc1ccc(/N=C/c2c(O)n(-c3ccccc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18N2O2/c1-16-11-13-17(14-12-16)24-15-21-19-9-5-6-10-20(19)22(26)25(23(21)27)18-7-3-2-4-8-18/h2-15,27H,1H3/b24-15+
InChIKeyFTDBGBQPVQVUCR-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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Related Compounds

4-[(4-ethoxyphenyl)iminomethyl]-3-hydroxy-2-(4-methylphenyl)isoquinolin-1-one
CID 3257363
3-hydroxy-4-(methyliminomethyl)-2-phenylisoquinolin-1-one
CID 4897006
3-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-[(4-methylphenyl)iminomethyl]isoquinolin-1-one
CID 1212496
2-(3,4-dimethylphenyl)-3-hydroxy-4-(pyridin-4-yliminomethyl)isoquinolin-1-one
CID 2534068
N,N'-bis[(E)-[3-hydroxy-2-(4-methylphenyl)-1-oxoisoquinolin-4-yl]methylideneamino]hexanediamide
CID 135555649
4-[[2-(3,4-dimethylphenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]-N-methylbenzenesulfonamide
CID 2533951
2-(3-chlorophenyl)-3-hydroxy-4-[(2-hydroxy-4-methylphenyl)iminomethyl]isoquinolin-1-one
CID 135674681
4-[(3,4-dimethylphenyl)iminomethyl]-3-hydroxy-2-(2-methylphenyl)isoquinolin-1-one
CID 2437380
3-hydroxy-7-methoxy-2-(2-methylphenyl)-4-[(4-methylphenyl)iminomethyl]isoquinolin-1-one
CID 135543536
ethyl 4-[3-hydroxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]-1-oxoisoquinolin-2-yl]benzoate
CID 3603965
4-[[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]iminomethyl]-3-hydroxy-2-(4-methylphenyl)isoquinolin-1-one
CID 154858474
4-[(2,5-dimethylphenyl)iminomethyl]-3-hydroxy-2-[3-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 3542357

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(4-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one?
The IUPAC name of 3-hydroxy-4-[(4-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one (CID 3561966) is 3-hydroxy-4-[(4-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one.
What is the SMILES notation for 3-hydroxy-4-[(4-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one?
The canonical SMILES for 3-hydroxy-4-[(4-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one is Cc1ccc(/N=C/c2c(O)n(-c3ccccc3)c(=O)c3ccccc23)cc1.
What is the InChIKey of 3-hydroxy-4-[(4-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one?
The InChIKey is FTDBGBQPVQVUCR-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-16-11-13-17(14-12-16)24-15-21-19-9-5-6-10-20(19)22(26)25(23(21)27)18-7-3-2-4-8-18/h2-15,27H,1H3/b24-15+.
What are the key properties of 3-hydroxy-4-[(4-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one?
3-hydroxy-4-[(4-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-[(4-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one is sourced from PubChem (CID 3561966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).