2-(2-methoxyanilino)naphthalene-1,4-dione

C17H13NO3 — CID 14924922

IUPAC2-(2-methoxyanilino)naphthalene-1,4-dione
SMILESCOc1ccccc1NC1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO3/c1-21-16-9-5-4-8-13(16)18-14-10-15(19)11-6-2-3-7-12(11)17(14)20/h2-10,18H,1H3
InChIKeyVDQWILGPYMYQDK-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.07
Rot. Bonds3

About 2-(2-methoxyanilino)naphthalene-1,4-dione

2-(2-methoxyanilino)naphthalene-1,4-dione (PubChem CID 14924922) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2-methoxyanilino)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(2-methoxyanilino)naphthalene-1,4-dione
PubChem CID14924922
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-(2-methoxyanilino)naphthalene-1,4-dione
SMILESCOc1ccccc1NC1=CC(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13NO3/c1-21-16-9-5-4-8-13(16)18-14-10-15(19)11-6-2-3-7-12(11)17(14)20/h2-10,18H,1H3
InChIKeyVDQWILGPYMYQDK-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyanilino)naphthalene-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

Related Compounds

Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-
CID 7079
3-[(4-Methoxyphenyl)amino]-2-piperidylnaphthalene-1,4-dione
CID 1389332
2-Naphthalenecarboxamide, N-(2-ethoxyphenyl)-
CID 78442
2-(4-Methoxyphenyl)-4-quinolinol
CID 9547801
4-Methoxyacridin-9(10H)-one
CID 51991
4-amino-N-(2-methoxyphenyl)benzamide
CID 2317363
Zinc00087491
CID 358458
2'-Methoxy-2-phenylacetanilide
CID 258229
N-(2-Methoxy-phenyl)-N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-succinamide
CID 11646889
N-(2-methoxyphenyl)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]diselanyl]benzamide
CID 13673587
2-(4-Methoxyanilino)-1,4-naphthoquinone
CID 279008
5-Methoxy-13-(2-methoxyanilino)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 45280467

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)naphthalene-1,4-dione?
The IUPAC name of 2-(2-methoxyanilino)naphthalene-1,4-dione (CID 14924922) is 2-(2-methoxyanilino)naphthalene-1,4-dione.
What is the SMILES notation for 2-(2-methoxyanilino)naphthalene-1,4-dione?
The canonical SMILES for 2-(2-methoxyanilino)naphthalene-1,4-dione is COc1ccccc1NC1=CC(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-methoxyanilino)naphthalene-1,4-dione?
The InChIKey is VDQWILGPYMYQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-16-9-5-4-8-13(16)18-14-10-15(19)11-6-2-3-7-12(11)17(14)20/h2-10,18H,1H3.
What are the key properties of 2-(2-methoxyanilino)naphthalene-1,4-dione?
2-(2-methoxyanilino)naphthalene-1,4-dione has a molecular weight of 279.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)naphthalene-1,4-dione is sourced from PubChem (CID 14924922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).