2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione

C18H10N2O5 — CID 3100156

IUPAC2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1O
InChIInChI=1S/C18H10N2O5/c21-15-7-2-1-6-14(15)19-17(22)12-5-3-4-10-8-11(20(24)25)9-13(16(10)12)18(19)23/h1-9,21H
InChIKeyIWGUCAYNNLEWBI-UHFFFAOYSA-N
MW334.29 g/mol
LogP3.25
Rot. Bonds2

About 2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione

2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione (PubChem CID 3100156) has the molecular formula C18H10N2O5 and a molecular weight of 334.29 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione
PubChem CID3100156
Molecular FormulaC18H10N2O5
Molecular Weight334.29 g/mol
Exact Mass334.06
IUPAC Name2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1O
InChIInChI=1S/C18H10N2O5/c21-15-7-2-1-6-14(15)19-17(22)12-5-3-4-10-8-11(20(24)25)9-13(16(10)12)18(19)23/h1-9,21H
InChIKeyIWGUCAYNNLEWBI-UHFFFAOYSA-N
XLogP3.25
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione (CID 3100156) is 2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione?
The InChIKey is IWGUCAYNNLEWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2O5/c21-15-7-2-1-6-14(15)19-17(22)12-5-3-4-10-8-11(20(24)25)9-13(16(10)12)18(19)23/h1-9,21H.
What are the key properties of 2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione?
2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione has a molecular weight of 334.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-5-nitrobenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 3100156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).