N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide

C19H18N2O5 — CID 155512557

IUPACN-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H18N2O5/c22-16-12-3-1-2-4-13(12)17(23)18-14(16)11-15(26-18)19(24)20-5-6-21-7-9-25-10-8-21/h1-4,11H,5-10H2,(H,20,24)
InChIKeyHYRBINVMPNDOLN-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.12
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide

N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide (PubChem CID 155512557) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
PubChem CID155512557
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H18N2O5/c22-16-12-3-1-2-4-13(12)17(23)18-14(16)11-15(26-18)19(24)20-5-6-21-7-9-25-10-8-21/h1-4,11H,5-10H2,(H,20,24)
InChIKeyHYRBINVMPNDOLN-UHFFFAOYSA-N
XLogP1.12
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide (CID 155512557) is N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide is O=C(NCCN1CCOCC1)c1cc2c(o1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide?
The InChIKey is HYRBINVMPNDOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-16-12-3-1-2-4-13(12)17(23)18-14(16)11-15(26-18)19(24)20-5-6-21-7-9-25-10-8-21/h1-4,11H,5-10H2,(H,20,24).
What are the key properties of N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide?
N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-2-carboxamide is sourced from PubChem (CID 155512557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).