8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione

C17H15NO6 — CID 163883664

IUPAC8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione
SMILESCOc1cc(Oc2ccc(O)cc2OC)c2c(c1)C(=O)CC(=O)N2
InChIInChI=1S/C17H15NO6/c1-22-10-6-11-12(20)8-16(21)18-17(11)15(7-10)24-13-4-3-9(19)5-14(13)23-2/h3-7,19H,8H2,1-2H3,(H,18,21)
InChIKeyPVMCIYZPKYVIQF-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.73
Rot. Bonds4

About 8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione

8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione (PubChem CID 163883664) has the molecular formula C17H15NO6 and a molecular weight of 329.31 g/mol. Its IUPAC name is 8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione
PubChem CID163883664
Molecular FormulaC17H15NO6
Molecular Weight329.31 g/mol
Exact Mass329.09
IUPAC Name8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione
SMILESCOc1cc(Oc2ccc(O)cc2OC)c2c(c1)C(=O)CC(=O)N2
InChIInChI=1S/C17H15NO6/c1-22-10-6-11-12(20)8-16(21)18-17(11)15(7-10)24-13-4-3-9(19)5-14(13)23-2/h3-7,19H,8H2,1-2H3,(H,18,21)
InChIKeyPVMCIYZPKYVIQF-UHFFFAOYSA-N
XLogP2.73
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione?
The IUPAC name of 8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione (CID 163883664) is 8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione.
What is the SMILES notation for 8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione?
The canonical SMILES for 8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione is COc1cc(Oc2ccc(O)cc2OC)c2c(c1)C(=O)CC(=O)N2.
What is the InChIKey of 8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione?
The InChIKey is PVMCIYZPKYVIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6/c1-22-10-6-11-12(20)8-16(21)18-17(11)15(7-10)24-13-4-3-9(19)5-14(13)23-2/h3-7,19H,8H2,1-2H3,(H,18,21).
What are the key properties of 8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione?
8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione has a molecular weight of 329.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxy-2-methoxyphenoxy)-6-methoxy-1H-quinoline-2,4-dione is sourced from PubChem (CID 163883664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).