2-(diethylamino)naphthalene-1,4-dione

C14H15NO2 — CID 26687

IUPAC2-(diethylamino)naphthalene-1,4-dione
SMILESCCN(CC)C1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15NO2/c1-3-15(4-2)12-9-13(16)10-7-5-6-8-11(10)14(12)17/h5-9H,3-4H2,1-2H3
InChIKeyYWEDSYCFWBEXBJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.29
Rot. Bonds3

About 2-(diethylamino)naphthalene-1,4-dione

2-(diethylamino)naphthalene-1,4-dione (PubChem CID 26687) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(diethylamino)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(diethylamino)naphthalene-1,4-dione
PubChem CID26687
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(diethylamino)naphthalene-1,4-dione
SMILESCCN(CC)C1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15NO2/c1-3-15(4-2)12-9-13(16)10-7-5-6-8-11(10)14(12)17/h5-9H,3-4H2,1-2H3
InChIKeyYWEDSYCFWBEXBJ-UHFFFAOYSA-N
XLogP2.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(diethylamino)naphthalene-1,4-dione?
The IUPAC name of 2-(diethylamino)naphthalene-1,4-dione (CID 26687) is 2-(diethylamino)naphthalene-1,4-dione.
What is the SMILES notation for 2-(diethylamino)naphthalene-1,4-dione?
The canonical SMILES for 2-(diethylamino)naphthalene-1,4-dione is CCN(CC)C1=CC(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(diethylamino)naphthalene-1,4-dione?
The InChIKey is YWEDSYCFWBEXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-15(4-2)12-9-13(16)10-7-5-6-8-11(10)14(12)17/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)naphthalene-1,4-dione?
2-(diethylamino)naphthalene-1,4-dione has a molecular weight of 229.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)naphthalene-1,4-dione is sourced from PubChem (CID 26687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).