2-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione

C15H14N2O4 — CID 21401388

IUPAC2-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione
SMILESCOc1cc2c(c3ccccc13)C(=O)N(NCCO)C2=O
InChIInChI=1S/C15H14N2O4/c1-21-12-8-11-13(10-5-3-2-4-9(10)12)15(20)17(14(11)19)16-6-7-18/h2-5,8,16,18H,6-7H2,1H3
InChIKeyPVURWBGALLSYQZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.94
Rot. Bonds4

About 2-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione

2-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione (PubChem CID 21401388) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione
PubChem CID21401388
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione
SMILESCOc1cc2c(c3ccccc13)C(=O)N(NCCO)C2=O
InChIInChI=1S/C15H14N2O4/c1-21-12-8-11-13(10-5-3-2-4-9(10)12)15(20)17(14(11)19)16-6-7-18/h2-5,8,16,18H,6-7H2,1H3
InChIKeyPVURWBGALLSYQZ-UHFFFAOYSA-N
XLogP0.94
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione (CID 21401388) is 2-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione is COc1cc2c(c3ccccc13)C(=O)N(NCCO)C2=O.
What is the InChIKey of 2-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione?
The InChIKey is PVURWBGALLSYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-12-8-11-13(10-5-3-2-4-9(10)12)15(20)17(14(11)19)16-6-7-18/h2-5,8,16,18H,6-7H2,1H3.
What are the key properties of 2-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione?
2-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione has a molecular weight of 286.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-5-methoxybenzo[e]isoindole-1,3-dione is sourced from PubChem (CID 21401388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).