2-amino-3-methoxynaphthalene-1,4-dione

C11H9NO3 — CID 3301281

IUPAC2-amino-3-methoxynaphthalene-1,4-dione
SMILESCOC1=C(N)C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO3/c1-15-11-8(12)9(13)6-4-2-3-5-7(6)10(11)14/h2-5H,12H2,1H3
InChIKeyQZBCBVNMIPYLEH-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.88
Rot. Bonds1

About 2-amino-3-methoxynaphthalene-1,4-dione

2-amino-3-methoxynaphthalene-1,4-dione (PubChem CID 3301281) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-amino-3-methoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name2-amino-3-methoxynaphthalene-1,4-dione
PubChem CID3301281
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-amino-3-methoxynaphthalene-1,4-dione
SMILESCOC1=C(N)C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO3/c1-15-11-8(12)9(13)6-4-2-3-5-7(6)10(11)14/h2-5H,12H2,1H3
InChIKeyQZBCBVNMIPYLEH-UHFFFAOYSA-N
XLogP0.88
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-methoxynaphthalene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxynaphthalene-1,4-dione?
The IUPAC name of 2-amino-3-methoxynaphthalene-1,4-dione (CID 3301281) is 2-amino-3-methoxynaphthalene-1,4-dione.
What is the SMILES notation for 2-amino-3-methoxynaphthalene-1,4-dione?
The canonical SMILES for 2-amino-3-methoxynaphthalene-1,4-dione is COC1=C(N)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-amino-3-methoxynaphthalene-1,4-dione?
The InChIKey is QZBCBVNMIPYLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-15-11-8(12)9(13)6-4-2-3-5-7(6)10(11)14/h2-5H,12H2,1H3.
What are the key properties of 2-amino-3-methoxynaphthalene-1,4-dione?
2-amino-3-methoxynaphthalene-1,4-dione has a molecular weight of 203.20 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxynaphthalene-1,4-dione is sourced from PubChem (CID 3301281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).