2-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione

C17H11NO4 — CID 6028554

IUPAC2-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(O)ccc(c23)C(=O)N1Cc1ccco1
InChIInChI=1S/C17H11NO4/c19-14-7-6-13-15-11(14)4-1-5-12(15)16(20)18(17(13)21)9-10-3-2-8-22-10/h1-8,19H,9H2
InChIKeyVRUYSTBKLVDWHE-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.93
Rot. Bonds2

About 2-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione

2-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione (PubChem CID 6028554) has the molecular formula C17H11NO4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione
PubChem CID6028554
Molecular FormulaC17H11NO4
Molecular Weight293.28 g/mol
Exact Mass293.07
IUPAC Name2-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(O)ccc(c23)C(=O)N1Cc1ccco1
InChIInChI=1S/C17H11NO4/c19-14-7-6-13-15-11(14)4-1-5-12(15)16(20)18(17(13)21)9-10-3-2-8-22-10/h1-8,19H,9H2
InChIKeyVRUYSTBKLVDWHE-UHFFFAOYSA-N
XLogP2.93
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione (CID 6028554) is 2-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(O)ccc(c23)C(=O)N1Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is VRUYSTBKLVDWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO4/c19-14-7-6-13-15-11(14)4-1-5-12(15)16(20)18(17(13)21)9-10-3-2-8-22-10/h1-8,19H,9H2.
What are the key properties of 2-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione?
2-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 293.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 6028554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).