4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione

C17H15NO3 — CID 15370514

IUPAC4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione
SMILESCCC1(O)C(=O)N(c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C17H15NO3/c1-2-17(21)14-11-7-6-10-13(14)15(19)18(16(17)20)12-8-4-3-5-9-12/h3-11,21H,2H2,1H3
InChIKeyYEROYGUCEGWGPQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.47
Rot. Bonds2

About 4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione

4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione (PubChem CID 15370514) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione.

Molecular Properties

Compound Name4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione
PubChem CID15370514
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione
SMILESCCC1(O)C(=O)N(c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C17H15NO3/c1-2-17(21)14-11-7-6-10-13(14)15(19)18(16(17)20)12-8-4-3-5-9-12/h3-11,21H,2H2,1H3
InChIKeyYEROYGUCEGWGPQ-UHFFFAOYSA-N
XLogP2.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanamine;2-phenylisoindole-1,3-dione;propane
CID 171823860
3-ethyl-3-hydroxy-1-methylquinoline-2,4-dione
CID 2785100
4-(1,3-dioxo-4,4-dipropylisoquinolin-2-yl)benzonitrile
CID 44568120
methylarsonic acid;2-phenylisoindole-1,3-dione
CID 162087395
5-benzyl-5-hydroxy-1-phenyl-1,3-diazinane-2,4,6-trione
CID 118199478
2-tert-butyl-2'-phenylspiro[3,1-benzoxazine-4,4'-isoquinoline]-1',3'-dione
CID 163213576
(3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione
CID 1331361
2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione
CID 106913246
5-bromo-3-ethyl-3-hydroxy-2-phenylisoindol-1-one
CID 162363998
2-(diethylamino)-3-hydroxy-3-phenylisoindol-1-one
CID 5121880
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
3-hydroxy-1,3-diphenylquinoline-2,4-dione
CID 2784001

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione?
The IUPAC name of 4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione (CID 15370514) is 4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione.
What is the SMILES notation for 4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione?
The canonical SMILES for 4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione is CCC1(O)C(=O)N(c2ccccc2)C(=O)c2ccccc21.
What is the InChIKey of 4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione?
The InChIKey is YEROYGUCEGWGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-17(21)14-11-7-6-10-13(14)15(19)18(16(17)20)12-8-4-3-5-9-12/h3-11,21H,2H2,1H3.
What are the key properties of 4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione?
4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione has a molecular weight of 281.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-hydroxy-2-phenylisoquinoline-1,3-dione is sourced from PubChem (CID 15370514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).