2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione

C15H10FNO3 — CID 64788256

IUPAC2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccccc2C(=O)N1c1ccc(O)cc1F
InChIInChI=1S/C15H10FNO3/c16-12-8-10(18)5-6-13(12)17-14(19)7-9-3-1-2-4-11(9)15(17)20/h1-6,8,18H,7H2
InChIKeyVNGZVDLYCRVIJP-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.26
Rot. Bonds1

About 2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione

2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione (PubChem CID 64788256) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione
PubChem CID64788256
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccccc2C(=O)N1c1ccc(O)cc1F
InChIInChI=1S/C15H10FNO3/c16-12-8-10(18)5-6-13(12)17-14(19)7-9-3-1-2-4-11(9)15(17)20/h1-6,8,18H,7H2
InChIKeyVNGZVDLYCRVIJP-UHFFFAOYSA-N
XLogP2.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
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-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione (CID 64788256) is 2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione is O=C1Cc2ccccc2C(=O)N1c1ccc(O)cc1F.
What is the InChIKey of 2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
The InChIKey is VNGZVDLYCRVIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c16-12-8-10(18)5-6-13(12)17-14(19)7-9-3-1-2-4-11(9)15(17)20/h1-6,8,18H,7H2.
What are the key properties of 2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione has a molecular weight of 271.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-hydroxyphenyl)-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 64788256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).