4,4-dimethyl-2-phenylisoquinoline-1,3-dione

C17H15NO2 — CID 4180255

IUPAC4,4-dimethyl-2-phenylisoquinoline-1,3-dione
SMILESCC1(C)C(=O)N(c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C17H15NO2/c1-17(2)14-11-7-6-10-13(14)15(19)18(16(17)20)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyQAPZHHJLCVNDMB-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.15
Rot. Bonds1

About 4,4-dimethyl-2-phenylisoquinoline-1,3-dione

4,4-dimethyl-2-phenylisoquinoline-1,3-dione (PubChem CID 4180255) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4,4-dimethyl-2-phenylisoquinoline-1,3-dione.

Molecular Properties

Compound Name4,4-dimethyl-2-phenylisoquinoline-1,3-dione
PubChem CID4180255
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4,4-dimethyl-2-phenylisoquinoline-1,3-dione
SMILESCC1(C)C(=O)N(c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C17H15NO2/c1-17(2)14-11-7-6-10-13(14)15(19)18(16(17)20)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyQAPZHHJLCVNDMB-UHFFFAOYSA-N
XLogP3.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-phenylisoquinoline-1,3-dione?
The IUPAC name of 4,4-dimethyl-2-phenylisoquinoline-1,3-dione (CID 4180255) is 4,4-dimethyl-2-phenylisoquinoline-1,3-dione.
What is the SMILES notation for 4,4-dimethyl-2-phenylisoquinoline-1,3-dione?
The canonical SMILES for 4,4-dimethyl-2-phenylisoquinoline-1,3-dione is CC1(C)C(=O)N(c2ccccc2)C(=O)c2ccccc21.
What is the InChIKey of 4,4-dimethyl-2-phenylisoquinoline-1,3-dione?
The InChIKey is QAPZHHJLCVNDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-17(2)14-11-7-6-10-13(14)15(19)18(16(17)20)12-8-4-3-5-9-12/h3-11H,1-2H3.
What are the key properties of 4,4-dimethyl-2-phenylisoquinoline-1,3-dione?
4,4-dimethyl-2-phenylisoquinoline-1,3-dione has a molecular weight of 265.31 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-phenylisoquinoline-1,3-dione is sourced from PubChem (CID 4180255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).