2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione

C15H11NO4 — CID 25180449

IUPAC2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccc(-c3ccc(O)cc3)cc2C(=O)N1O
InChIInChI=1S/C15H11NO4/c17-12-5-3-9(4-6-12)10-1-2-11-8-14(18)16(20)15(19)13(11)7-10/h1-7,17,20H,8H2
InChIKeyQYEIBTDIMWDPAP-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.97
Rot. Bonds1

About 2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione

2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione (PubChem CID 25180449) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione
PubChem CID25180449
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccc(-c3ccc(O)cc3)cc2C(=O)N1O
InChIInChI=1S/C15H11NO4/c17-12-5-3-9(4-6-12)10-1-2-11-8-14(18)16(20)15(19)13(11)7-10/h1-7,17,20H,8H2
InChIKeyQYEIBTDIMWDPAP-UHFFFAOYSA-N
XLogP1.97
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione (CID 25180449) is 2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione is O=C1Cc2ccc(-c3ccc(O)cc3)cc2C(=O)N1O.
What is the InChIKey of 2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
The InChIKey is QYEIBTDIMWDPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-12-5-3-9(4-6-12)10-1-2-11-8-14(18)16(20)15(19)13(11)7-10/h1-7,17,20H,8H2.
What are the key properties of 2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione?
2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione has a molecular weight of 269.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7-(4-hydroxyphenyl)-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 25180449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).