3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione

C16H13NO4 — CID 2785061

IUPAC3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione
SMILESCOc1cccc2c1NC(=O)C(O)(c1ccccc1)C2=O
InChIInChI=1S/C16H13NO4/c1-21-12-9-5-8-11-13(12)17-15(19)16(20,14(11)18)10-6-3-2-4-7-10/h2-9,20H,1H3,(H,17,19)
InChIKeyYEXWUINBFBJBJV-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.72
Rot. Bonds2

About 3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione

3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione (PubChem CID 2785061) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione
PubChem CID2785061
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione
SMILESCOc1cccc2c1NC(=O)C(O)(c1ccccc1)C2=O
InChIInChI=1S/C16H13NO4/c1-21-12-9-5-8-11-13(12)17-15(19)16(20,14(11)18)10-6-3-2-4-7-10/h2-9,20H,1H3,(H,17,19)
InChIKeyYEXWUINBFBJBJV-UHFFFAOYSA-N
XLogP1.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione?
The IUPAC name of 3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione (CID 2785061) is 3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione?
The canonical SMILES for 3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione is COc1cccc2c1NC(=O)C(O)(c1ccccc1)C2=O.
What is the InChIKey of 3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione?
The InChIKey is YEXWUINBFBJBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-21-12-9-5-8-11-13(12)17-15(19)16(20,14(11)18)10-6-3-2-4-7-10/h2-9,20H,1H3,(H,17,19).
What are the key properties of 3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione?
3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione has a molecular weight of 283.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-8-methoxy-3-phenyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 2785061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).