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

C17H13NO3 — CID 931356

IUPAC2-anilino-3-methoxynaphthalene-1,4-dione
SMILESCOC1=C(Nc2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO3/c1-21-17-14(18-11-7-3-2-4-8-11)15(19)12-9-5-6-10-13(12)16(17)20/h2-10,18H,1H3
InChIKeyIDALHZBWBHNQOL-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.04
Rot. Bonds3

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

2-anilino-3-methoxynaphthalene-1,4-dione (PubChem CID 931356) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-anilino-3-methoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name2-anilino-3-methoxynaphthalene-1,4-dione
PubChem CID931356
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-anilino-3-methoxynaphthalene-1,4-dione
SMILESCOC1=C(Nc2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO3/c1-21-17-14(18-11-7-3-2-4-8-11)15(19)12-9-5-6-10-13(12)16(17)20/h2-10,18H,1H3
InChIKeyIDALHZBWBHNQOL-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Phenylamino-1,4-naphthoquinone
CID 81124
Q182 4-Anilino-1,2-naphthoquinone
CID 344131
2-Amino-3-(m-tolylamino)naphthalene-1,4-dione
CID 11976150
4-(4-Toluidino)-1,2-naphthalenedione
CID 272567
2-(4-Methylanilino)naphthalene-1,4-dione
CID 279009
2-[(4-Fluorophenyl)amino]-1,4-naphthalenedione
CID 15537875
N-[4-[(1,4-dioxonaphthalen-2-yl)amino]phenyl]acetamide
CID 699117
2-Methoxy-3-(2-methoxyanilino)naphthalene-1,4-dione
CID 1891209
4-(4-Ethylanilino)naphthalene-1,2-dione
CID 3633677
2-Methoxy-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione
CID 714467
2-(4-Hydroxyanilino)-3-methoxynaphthalene-1,4-dione
CID 937638
2-Methoxy-3-((4-methoxyphenyl)amino)naphthalene-1,4-dione
CID 938368

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-methoxynaphthalene-1,4-dione?
The IUPAC name of 2-anilino-3-methoxynaphthalene-1,4-dione (CID 931356) is 2-anilino-3-methoxynaphthalene-1,4-dione.
What is the SMILES notation for 2-anilino-3-methoxynaphthalene-1,4-dione?
The canonical SMILES for 2-anilino-3-methoxynaphthalene-1,4-dione is COC1=C(Nc2ccccc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-anilino-3-methoxynaphthalene-1,4-dione?
The InChIKey is IDALHZBWBHNQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-17-14(18-11-7-3-2-4-8-11)15(19)12-9-5-6-10-13(12)16(17)20/h2-10,18H,1H3.
What are the key properties of 2-anilino-3-methoxynaphthalene-1,4-dione?
2-anilino-3-methoxynaphthalene-1,4-dione has a molecular weight of 279.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-methoxynaphthalene-1,4-dione is sourced from PubChem (CID 931356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).