2-(diethylamino)-3-methylnaphthalene-1,4-dione

C15H17NO2 — CID 15051417

IUPAC2-(diethylamino)-3-methylnaphthalene-1,4-dione
SMILESCCN(CC)C1=C(C)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H17NO2/c1-4-16(5-2)13-10(3)14(17)11-8-6-7-9-12(11)15(13)18/h6-9H,4-5H2,1-3H3
InChIKeyZBUALZZOLANXQW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.68
Rot. Bonds3

About 2-(diethylamino)-3-methylnaphthalene-1,4-dione

2-(diethylamino)-3-methylnaphthalene-1,4-dione (PubChem CID 15051417) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(diethylamino)-3-methylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-(diethylamino)-3-methylnaphthalene-1,4-dione
PubChem CID15051417
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(diethylamino)-3-methylnaphthalene-1,4-dione
SMILESCCN(CC)C1=C(C)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H17NO2/c1-4-16(5-2)13-10(3)14(17)11-8-6-7-9-12(11)15(13)18/h6-9H,4-5H2,1-3H3
InChIKeyZBUALZZOLANXQW-UHFFFAOYSA-N
XLogP2.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.68
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)-3-methylnaphthalene-1,4-dione?
The IUPAC name of 2-(diethylamino)-3-methylnaphthalene-1,4-dione (CID 15051417) is 2-(diethylamino)-3-methylnaphthalene-1,4-dione.
What is the SMILES notation for 2-(diethylamino)-3-methylnaphthalene-1,4-dione?
The canonical SMILES for 2-(diethylamino)-3-methylnaphthalene-1,4-dione is CCN(CC)C1=C(C)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(diethylamino)-3-methylnaphthalene-1,4-dione?
The InChIKey is ZBUALZZOLANXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-16(5-2)13-10(3)14(17)11-8-6-7-9-12(11)15(13)18/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-(diethylamino)-3-methylnaphthalene-1,4-dione?
2-(diethylamino)-3-methylnaphthalene-1,4-dione has a molecular weight of 243.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-3-methylnaphthalene-1,4-dione is sourced from PubChem (CID 15051417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).