6-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione

C19H11NO4 — CID 7573771

IUPAC6-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione
SMILESO=C(c1ccccc1)c1ccc2c3c(cccc13)C(=O)N(O)C2=O
InChIInChI=1S/C19H11NO4/c21-17(11-5-2-1-3-6-11)13-9-10-15-16-12(13)7-4-8-14(16)18(22)20(24)19(15)23/h1-10,24H
InChIKeyAFGMHSZWGJYWFH-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.06
Rot. Bonds2

About 6-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione

6-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione (PubChem CID 7573771) has the molecular formula C19H11NO4 and a molecular weight of 317.30 g/mol. Its IUPAC name is 6-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione
PubChem CID7573771
Molecular FormulaC19H11NO4
Molecular Weight317.30 g/mol
Exact Mass317.07
IUPAC Name6-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione
SMILESO=C(c1ccccc1)c1ccc2c3c(cccc13)C(=O)N(O)C2=O
InChIInChI=1S/C19H11NO4/c21-17(11-5-2-1-3-6-11)13-9-10-15-16-12(13)7-4-8-14(16)18(22)20(24)19(15)23/h1-10,24H
InChIKeyAFGMHSZWGJYWFH-UHFFFAOYSA-N
XLogP3.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione (CID 7573771) is 6-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione is O=C(c1ccccc1)c1ccc2c3c(cccc13)C(=O)N(O)C2=O.
What is the InChIKey of 6-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is AFGMHSZWGJYWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO4/c21-17(11-5-2-1-3-6-11)13-9-10-15-16-12(13)7-4-8-14(16)18(22)20(24)19(15)23/h1-10,24H.
What are the key properties of 6-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione?
6-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 317.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-2-hydroxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 7573771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).