2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione

C18H10ClNO3 — CID 5396293

IUPAC2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(O)ccc(c23)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H10ClNO3/c19-10-4-6-11(7-5-10)20-17(22)13-3-1-2-12-15(21)9-8-14(16(12)13)18(20)23/h1-9,21H
InChIKeyAJLGIQNNYJFJPV-UHFFFAOYSA-N
MW323.74 g/mol
LogP4.00
Rot. Bonds1

About 2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione

2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione (PubChem CID 5396293) has the molecular formula C18H10ClNO3 and a molecular weight of 323.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione
PubChem CID5396293
Molecular FormulaC18H10ClNO3
Molecular Weight323.74 g/mol
Exact Mass323.03
IUPAC Name2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3c(O)ccc(c23)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H10ClNO3/c19-10-4-6-11(7-5-10)20-17(22)13-3-1-2-12-15(21)9-8-14(16(12)13)18(20)23/h1-9,21H
InChIKeyAJLGIQNNYJFJPV-UHFFFAOYSA-N
XLogP4.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione (CID 5396293) is 2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3c(O)ccc(c23)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is AJLGIQNNYJFJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClNO3/c19-10-4-6-11(7-5-10)20-17(22)13-3-1-2-12-15(21)9-8-14(16(12)13)18(20)23/h1-9,21H.
What are the key properties of 2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione?
2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 323.74 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-hydroxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 5396293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).