2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione

C14H15NO4 — CID 86084516

IUPAC2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione
SMILESCCN(CC)C1=CC(=O)c2c(O)ccc(O)c2C1=O
InChIInChI=1S/C14H15NO4/c1-3-15(4-2)8-7-11(18)12-9(16)5-6-10(17)13(12)14(8)19/h5-7,16-17H,3-4H2,1-2H3
InChIKeyVXIOKIZMINFNLT-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.70
Rot. Bonds3

About 2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione

2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione (PubChem CID 86084516) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione.

Molecular Properties

Compound Name2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione
PubChem CID86084516
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione
SMILESCCN(CC)C1=CC(=O)c2c(O)ccc(O)c2C1=O
InChIInChI=1S/C14H15NO4/c1-3-15(4-2)8-7-11(18)12-9(16)5-6-10(17)13(12)14(8)19/h5-7,16-17H,3-4H2,1-2H3
InChIKeyVXIOKIZMINFNLT-UHFFFAOYSA-N
XLogP1.70
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,8-dihydroxy-2-(1-hydroxypentyl)naphthalene-1,4-dione
CID 10564379
2-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)sulfanylacetic acid
CID 5279640
CID 175981713
CID 175981713
5,8-dihydroxy-2-phosphanyloxynaphthalene-1,4-dione
CID 142847479
5,8-dihydroxy-2-(4-methylpentyl)naphthalene-1,4-dione
CID 5317321
5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione;ethanol
CID 146295223
5-chloro-8-hydroxy-2-methylnaphthalene-1,4-dione
CID 71324480
5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione;hydrate
CID 146295224
5,8-dihydroxy-2-(4-pentylphenyl)sulfanylnaphthalene-1,4-dione
CID 54177563
5,8-dihydroxy-2-(4-octylphenyl)sulfanylnaphthalene-1,4-dione
CID 54218381
2-(ethylamino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione
CID 18970696
5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione;methoxymethane
CID 174526528

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione?
The IUPAC name of 2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione (CID 86084516) is 2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione.
What is the SMILES notation for 2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione?
The canonical SMILES for 2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione is CCN(CC)C1=CC(=O)c2c(O)ccc(O)c2C1=O.
What is the InChIKey of 2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione?
The InChIKey is VXIOKIZMINFNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-15(4-2)8-7-11(18)12-9(16)5-6-10(17)13(12)14(8)19/h5-7,16-17H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione?
2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione has a molecular weight of 261.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5,8-dihydroxynaphthalene-1,4-dione is sourced from PubChem (CID 86084516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).