2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione

C14H15NO4 — CID 67425404

IUPAC2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione
SMILESCCNC1=CC(=O)c2c(OC)ccc(OC)c2C1=O
InChIInChI=1S/C14H15NO4/c1-4-15-8-7-9(16)12-10(18-2)5-6-11(19-3)13(12)14(8)17/h5-7,15H,4H2,1-3H3
InChIKeyZHNLJVIHQWOWQC-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.58
Rot. Bonds4

About 2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione

2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione (PubChem CID 67425404) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione
PubChem CID67425404
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione
SMILESCCNC1=CC(=O)c2c(OC)ccc(OC)c2C1=O
InChIInChI=1S/C14H15NO4/c1-4-15-8-7-9(16)12-10(18-2)5-6-11(19-3)13(12)14(8)17/h5-7,15H,4H2,1-3H3
InChIKeyZHNLJVIHQWOWQC-UHFFFAOYSA-N
XLogP1.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
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-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione?
The IUPAC name of 2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione (CID 67425404) is 2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione.
What is the SMILES notation for 2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione?
The canonical SMILES for 2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione is CCNC1=CC(=O)c2c(OC)ccc(OC)c2C1=O.
What is the InChIKey of 2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione?
The InChIKey is ZHNLJVIHQWOWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-4-15-8-7-9(16)12-10(18-2)5-6-11(19-3)13(12)14(8)17/h5-7,15H,4H2,1-3H3.
What are the key properties of 2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione?
2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione has a molecular weight of 261.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione is sourced from PubChem (CID 67425404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).