2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione

C19H18N2O4 — CID 155515077

IUPAC2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione
SMILESCCN1CCN(C(=O)c2cc3c(o2)C(=O)c2ccccc2C3=O)CC1
InChIInChI=1S/C19H18N2O4/c1-2-20-7-9-21(10-8-20)19(24)15-11-14-16(22)12-5-3-4-6-13(12)17(23)18(14)25-15/h3-6,11H,2,7-10H2,1H3
InChIKeyFZQLWWKYJZWYIK-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.83
Rot. Bonds2

About 2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione

2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione (PubChem CID 155515077) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione
PubChem CID155515077
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione
SMILESCCN1CCN(C(=O)c2cc3c(o2)C(=O)c2ccccc2C3=O)CC1
InChIInChI=1S/C19H18N2O4/c1-2-20-7-9-21(10-8-20)19(24)15-11-14-16(22)12-5-3-4-6-13(12)17(23)18(14)25-15/h3-6,11H,2,7-10H2,1H3
InChIKeyFZQLWWKYJZWYIK-UHFFFAOYSA-N
XLogP1.83
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione (CID 155515077) is 2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione is CCN1CCN(C(=O)c2cc3c(o2)C(=O)c2ccccc2C3=O)CC1.
What is the InChIKey of 2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione?
The InChIKey is FZQLWWKYJZWYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-20-7-9-21(10-8-20)19(24)15-11-14-16(22)12-5-3-4-6-13(12)17(23)18(14)25-15/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione?
2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione has a molecular weight of 338.36 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazine-1-carbonyl)benzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 155515077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).