2-anilino-8-hydroxynaphthalene-1,4-dione

C16H11NO3 — CID 73355164

IUPAC2-anilino-8-hydroxynaphthalene-1,4-dione
SMILESO=C1C=C(Nc2ccccc2)C(=O)c2c(O)cccc21
InChIInChI=1S/C16H11NO3/c18-13-8-4-7-11-14(19)9-12(16(20)15(11)13)17-10-5-2-1-3-6-10/h1-9,17-18H
InChIKeyKTEVSOYDEBXIGZ-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.77
Rot. Bonds2

About 2-anilino-8-hydroxynaphthalene-1,4-dione

2-anilino-8-hydroxynaphthalene-1,4-dione (PubChem CID 73355164) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-anilino-8-hydroxynaphthalene-1,4-dione.

Molecular Properties

Compound Name2-anilino-8-hydroxynaphthalene-1,4-dione
PubChem CID73355164
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name2-anilino-8-hydroxynaphthalene-1,4-dione
SMILESO=C1C=C(Nc2ccccc2)C(=O)c2c(O)cccc21
InChIInChI=1S/C16H11NO3/c18-13-8-4-7-11-14(19)9-12(16(20)15(11)13)17-10-5-2-1-3-6-10/h1-9,17-18H
InChIKeyKTEVSOYDEBXIGZ-UHFFFAOYSA-N
XLogP2.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-anilino-8-hydroxynaphthalene-1,4-dione?
The IUPAC name of 2-anilino-8-hydroxynaphthalene-1,4-dione (CID 73355164) is 2-anilino-8-hydroxynaphthalene-1,4-dione.
What is the SMILES notation for 2-anilino-8-hydroxynaphthalene-1,4-dione?
The canonical SMILES for 2-anilino-8-hydroxynaphthalene-1,4-dione is O=C1C=C(Nc2ccccc2)C(=O)c2c(O)cccc21.
What is the InChIKey of 2-anilino-8-hydroxynaphthalene-1,4-dione?
The InChIKey is KTEVSOYDEBXIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-13-8-4-7-11-14(19)9-12(16(20)15(11)13)17-10-5-2-1-3-6-10/h1-9,17-18H.
What are the key properties of 2-anilino-8-hydroxynaphthalene-1,4-dione?
2-anilino-8-hydroxynaphthalene-1,4-dione has a molecular weight of 265.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-hydroxynaphthalene-1,4-dione is sourced from PubChem (CID 73355164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).