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

C16H11NO3 — CID 73291708

IUPAC3-anilino-4-hydroxynaphthalene-1,2-dione
SMILESO=C1C(=O)c2ccccc2C(O)=C1Nc1ccccc1
InChIInChI=1S/C16H11NO3/c18-14-11-8-4-5-9-12(11)15(19)16(20)13(14)17-10-6-2-1-3-7-10/h1-9,17-18H
InChIKeyFWSDFPFHWGWXQO-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.79
Rot. Bonds2

About 3-anilino-4-hydroxynaphthalene-1,2-dione

3-anilino-4-hydroxynaphthalene-1,2-dione (PubChem CID 73291708) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-anilino-4-hydroxynaphthalene-1,2-dione.

Molecular Properties

Compound Name3-anilino-4-hydroxynaphthalene-1,2-dione
PubChem CID73291708
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name3-anilino-4-hydroxynaphthalene-1,2-dione
SMILESO=C1C(=O)c2ccccc2C(O)=C1Nc1ccccc1
InChIInChI=1S/C16H11NO3/c18-14-11-8-4-5-9-12(11)15(19)16(20)13(14)17-10-6-2-1-3-7-10/h1-9,17-18H
InChIKeyFWSDFPFHWGWXQO-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Phthalanilic acid
CID 78458
3-Benzylquinoline-2,4-diol
CID 54680363
Benzoic acid, 3-((3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino)-
CID 470958
3-Phenyl-2,4-quinolinediol
CID 54677756
2-(4-Hydroxyanilino)-1,4-naphthoquinone
CID 739245
2-Methoxy-3-(phenylamino)naphthalene-1,4-dione
CID 931356
2-[(2-Oxo-2-phenylethyl)amino]benzoic acid
CID 583493
3-(4-Fluoroanilino)-4-hydroxynaphthalene-1,2-dione
CID 146672982
2-(4-Chloroanilino)-3-hydroxynaphthoquinone
CID 271388
4-(2-Hydroxyanilino)-1,2-dihydronaphthalene-1,2-dione
CID 1895705
2-(5,6,7,8-Tetrahydronaphthalen-1-ylamino)benzoic acid
CID 11086726
2-((2-Benzoylanilino)carbonyl)benzoic acid
CID 16019071

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-hydroxynaphthalene-1,2-dione?
The IUPAC name of 3-anilino-4-hydroxynaphthalene-1,2-dione (CID 73291708) is 3-anilino-4-hydroxynaphthalene-1,2-dione.
What is the SMILES notation for 3-anilino-4-hydroxynaphthalene-1,2-dione?
The canonical SMILES for 3-anilino-4-hydroxynaphthalene-1,2-dione is O=C1C(=O)c2ccccc2C(O)=C1Nc1ccccc1.
What is the InChIKey of 3-anilino-4-hydroxynaphthalene-1,2-dione?
The InChIKey is FWSDFPFHWGWXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-14-11-8-4-5-9-12(11)15(19)16(20)13(14)17-10-6-2-1-3-7-10/h1-9,17-18H.
What are the key properties of 3-anilino-4-hydroxynaphthalene-1,2-dione?
3-anilino-4-hydroxynaphthalene-1,2-dione has a molecular weight of 265.27 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-hydroxynaphthalene-1,2-dione is sourced from PubChem (CID 73291708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).