6-(4-methoxyanilino)phthalazine-5,8-dione

C15H11N3O3 — CID 16739292

IUPAC6-(4-methoxyanilino)phthalazine-5,8-dione
SMILESCOc1ccc(NC2=CC(=O)c3cnncc3C2=O)cc1
InChIInChI=1S/C15H11N3O3/c1-21-10-4-2-9(3-5-10)18-13-6-14(19)11-7-16-17-8-12(11)15(13)20/h2-8,18H,1H3
InChIKeyCDTSUGCZSWZUMR-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.86
Rot. Bonds3

About 6-(4-methoxyanilino)phthalazine-5,8-dione

6-(4-methoxyanilino)phthalazine-5,8-dione (PubChem CID 16739292) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 6-(4-methoxyanilino)phthalazine-5,8-dione.

Molecular Properties

Compound Name6-(4-methoxyanilino)phthalazine-5,8-dione
PubChem CID16739292
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name6-(4-methoxyanilino)phthalazine-5,8-dione
SMILESCOc1ccc(NC2=CC(=O)c3cnncc3C2=O)cc1
InChIInChI=1S/C15H11N3O3/c1-21-10-4-2-9(3-5-10)18-13-6-14(19)11-7-16-17-8-12(11)15(13)20/h2-8,18H,1H3
InChIKeyCDTSUGCZSWZUMR-UHFFFAOYSA-N
XLogP1.86
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 5297390
6-Chloro-7-(4-methoxyanilino)isoquinoline-5,8-dione
CID 10335823
6-Chloro-7-(3-methoxyanilino)phthalazine-5,8-dione
CID 85967721
6-Chloro-7-(3-ethoxyanilino)phthalazine-5,8-dione
CID 135058997
N-(4-methoxyphenyl)-4,5-dimethylpyridazine-3-carboxamide
CID 139046468
6-Chloro-7-[3-(trifluoromethoxy)anilino]phthalazine-5,8-dione
CID 16126391
N-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 121524849
7-(4-Methoxyanilino)isoquinoline-5,8-dione
CID 176453777
N-(4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 102037652
6-(4-methoxyphenyl)-8H-pyrido[3,4-d]pyridazine-5,7-dione
CID 23597420
6-Chloro-7-(4-methoxyanilino)phthalazine-5,8-dione
CID 142671433
6-Chloro-7-(4-ethoxyanilino)phthalazine-5,8-dione
CID 142671434

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyanilino)phthalazine-5,8-dione?
The IUPAC name of 6-(4-methoxyanilino)phthalazine-5,8-dione (CID 16739292) is 6-(4-methoxyanilino)phthalazine-5,8-dione.
What is the SMILES notation for 6-(4-methoxyanilino)phthalazine-5,8-dione?
The canonical SMILES for 6-(4-methoxyanilino)phthalazine-5,8-dione is COc1ccc(NC2=CC(=O)c3cnncc3C2=O)cc1.
What is the InChIKey of 6-(4-methoxyanilino)phthalazine-5,8-dione?
The InChIKey is CDTSUGCZSWZUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-21-10-4-2-9(3-5-10)18-13-6-14(19)11-7-16-17-8-12(11)15(13)20/h2-8,18H,1H3.
What are the key properties of 6-(4-methoxyanilino)phthalazine-5,8-dione?
6-(4-methoxyanilino)phthalazine-5,8-dione has a molecular weight of 281.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyanilino)phthalazine-5,8-dione is sourced from PubChem (CID 16739292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).