6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione

C15H10FNO3 — CID 56837843

IUPAC6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2cc(-c3ccc(F)cc3)ccc2C(=O)N1O
InChIInChI=1S/C15H10FNO3/c16-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(18)17(20)15(13)19/h1-7,20H,8H2
InChIKeyYHLUZZZKENYUDL-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.41
Rot. Bonds1

About 6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione

6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione (PubChem CID 56837843) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione
PubChem CID56837843
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2cc(-c3ccc(F)cc3)ccc2C(=O)N1O
InChIInChI=1S/C15H10FNO3/c16-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(18)17(20)15(13)19/h1-7,20H,8H2
InChIKeyYHLUZZZKENYUDL-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione?
The IUPAC name of 6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione (CID 56837843) is 6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione?
The canonical SMILES for 6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione is O=C1Cc2cc(-c3ccc(F)cc3)ccc2C(=O)N1O.
What is the InChIKey of 6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione?
The InChIKey is YHLUZZZKENYUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c16-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-14(18)17(20)15(13)19/h1-7,20H,8H2.
What are the key properties of 6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione?
6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione has a molecular weight of 271.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-hydroxy-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 56837843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).