2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione

C24H19NO3 — CID 11360676

IUPAC2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione
SMILESCN1C(=O)c2ccccc2C(C(C(=O)c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C24H19NO3/c1-25-23(27)19-15-9-8-14-18(19)21(24(25)28)20(16-10-4-2-5-11-16)22(26)17-12-6-3-7-13-17/h2-15,20-21H,1H3
InChIKeyDHOWDCLFXATPDB-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.05
Rot. Bonds4

About 2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione

2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione (PubChem CID 11360676) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione
PubChem CID11360676
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione
SMILESCN1C(=O)c2ccccc2C(C(C(=O)c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C24H19NO3/c1-25-23(27)19-15-9-8-14-18(19)21(24(25)28)20(16-10-4-2-5-11-16)22(26)17-12-6-3-7-13-17/h2-15,20-21H,1H3
InChIKeyDHOWDCLFXATPDB-UHFFFAOYSA-N
XLogP4.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione (CID 11360676) is 2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione is CN1C(=O)c2ccccc2C(C(C(=O)c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of 2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione?
The InChIKey is DHOWDCLFXATPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-25-23(27)19-15-9-8-14-18(19)21(24(25)28)20(16-10-4-2-5-11-16)22(26)17-12-6-3-7-13-17/h2-15,20-21H,1H3.
What are the key properties of 2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione?
2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione has a molecular weight of 369.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-oxo-1,2-diphenylethyl)-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 11360676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).